• Skip to content (access key 1)
  • Skip to search (access key 7)
FWF — Austrian Science Fund
  • Go to overview page Discover

    • Research Radar
      • Research Radar Archives 1974–1994
    • Discoveries
      • Emmanuelle Charpentier
      • Adrian Constantin
      • Monika Henzinger
      • Ferenc Krausz
      • Wolfgang Lutz
      • Walter Pohl
      • Christa Schleper
      • Elly Tanaka
      • Anton Zeilinger
    • Impact Stories
      • Verena Gassner
      • Wolfgang Lechner
      • Georg Winter
    • scilog Magazine
    • Austrian Science Awards
      • FWF Wittgenstein Awards
      • FWF ASTRA Awards
      • FWF START Awards
      • Award Ceremony
    • excellent=austria
      • Clusters of Excellence
      • Emerging Fields
    • In the Spotlight
      • 40 Years of Erwin Schrödinger Fellowships
      • Quantum Austria
    • Dialogs and Talks
      • think.beyond Summit
    • Knowledge Transfer Events
    • E-Book Library
  • Go to overview page Funding

    • Portfolio
      • excellent=austria
        • Clusters of Excellence
        • Emerging Fields
      • Projects
        • Principal Investigator Projects
        • Principal Investigator Projects International
        • Clinical Research
        • 1000 Ideas
        • Arts-Based Research
        • FWF Wittgenstein Award
      • Careers
        • ESPRIT
        • FWF ASTRA Awards
        • Erwin Schrödinger
        • doc.funds
        • doc.funds.connect
      • Collaborations
        • Specialized Research Groups
        • Special Research Areas
        • Research Groups
        • International – Multilateral Initiatives
        • #ConnectingMinds
      • Communication
        • Top Citizen Science
        • Science Communication
        • Book Publications
        • Digital Publications
        • Open-Access Block Grant
      • Subject-Specific Funding
        • AI Mission Austria
        • Belmont Forum
        • ERA-NET HERA
        • ERA-NET NORFACE
        • ERA-NET QuantERA
        • ERA-NET TRANSCAN
        • Alternative Methods to Animal Testing
        • European Partnership Biodiversa+
        • European Partnership BrainHealth
        • European Partnership ERA4Health
        • European Partnership ERDERA
        • European Partnership EUPAHW
        • European Partnership FutureFoodS
        • European Partnership OHAMR
        • European Partnership PerMed
        • European Partnership Water4All
        • Gottfried and Vera Weiss Award
        • netidee SCIENCE
        • Herzfelder Foundation Projects
        • Quantum Austria
        • Rückenwind Funding Bonus
        • WE&ME Award
        • Zero Emissions Award
      • International Collaborations
        • Belgium/Flanders
        • Germany
        • France
        • Italy/South Tyrol
        • Japan
        • Luxembourg
        • Poland
        • Switzerland
        • Slovenia
        • Taiwan
        • Tyrol–South Tyrol–Trentino
        • Czech Republic
        • Hungary
    • Step by Step
      • Find Funding
      • Submitting Your Application
      • International Peer Review
      • Funding Decisions
      • Carrying out Your Project
      • Closing Your Project
      • Further Information
        • Integrity and Ethics
        • Inclusion
        • Applying from Abroad
        • Personnel Costs
        • PROFI
        • Final Project Reports
        • Final Project Report Survey
    • FAQ
      • Project Phase PROFI
      • Project Phase Ad Personam
      • Expiring Programs
        • Elise Richter and Elise Richter PEEK
        • FWF START Awards
  • Go to overview page About Us

    • Mission Statement
    • FWF Video
    • Values
    • Facts and Figures
    • Annual Report
    • What We Do
      • Research Funding
        • Matching Funds Initiative
      • International Collaborations
      • Studies and Publications
      • Equal Opportunities and Diversity
        • Objectives and Principles
        • Measures
        • Creating Awareness of Bias in the Review Process
        • Terms and Definitions
        • Your Career in Cutting-Edge Research
      • Open Science
        • Open-Access Policy
          • Open-Access Policy for Peer-Reviewed Publications
          • Open-Access Policy for Peer-Reviewed Book Publications
          • Open-Access Policy for Research Data
        • Research Data Management
        • Citizen Science
        • Open Science Infrastructures
        • Open Science Funding
      • Evaluations and Quality Assurance
      • Academic Integrity
      • Science Communication
      • Philanthropy
      • Sustainability
    • History
    • Legal Basis
    • Organization
      • Executive Bodies
        • Executive Board
        • Supervisory Board
        • Assembly of Delegates
        • Scientific Board
        • Juries
      • FWF Office
    • Jobs at FWF
  • Go to overview page News

    • News
    • Press
      • Logos
    • Calendar
      • Post an Event
      • FWF Informational Events
    • Job Openings
      • Enter Job Opening
    • Newsletter
  • Discovering
    what
    matters.

    FWF-Newsletter Press-Newsletter Calendar-Newsletter Job-Newsletter scilog-Newsletter

    SOCIAL MEDIA

    • LinkedIn, external URL, opens in a new window
    • , external URL, opens in a new window
    • Facebook, external URL, opens in a new window
    • Instagram, external URL, opens in a new window
    • YouTube, external URL, opens in a new window

    SCILOG

    • Scilog — The science magazine of the Austrian Science Fund (FWF)
  • elane login, external URL, opens in a new window
  • Scilog external URL, opens in a new window
  • de Wechsle zu Deutsch

  

Molecular Drug Targets

Molecular Drug Targets

Gerhard F. Ecker (ORCID: 0000-0003-4209-6883)
  • Grant DOI 10.55776/W1232
  • Funding program Doctoral Programs
  • Status ended
  • Start March 1, 2011
  • End February 29, 2024
  • Funding amount € 7,221,627
  • Project website

Disciplines

Biology (10%); Medical-Theoretical Sciences, Pharmacy (90%)

Keywords

    Drug targets, Pharmacoinformatics, GABAA receptor, Transporters, Ion channels, Transgenic animals

Abstract

Discovery and development of new drugs is driven by the increasing application of molecular pharmacology (mutational analysis), molecular modeling and methods to elucidate drug interactions with 3D structures of proteins. Model organisms (e.g. "knock in" or transgenic mice) are of key importance for identification of drug targets and their validation. Technological platforms that range from molecular and cell biology, chemistry to model organisms are applied in parallel and data retrieved provide the basis for predictive in silico models. Research in the field of drug discovery and development thus requires a broad knowledge of biological, pharmaceutical and medical issues, biophysics, genetics, chemistry, and computer technologies. The Doctoral Program (DP) Molecular Drug Targets (MolTag) brings together 9 groups from the University of Vienna, the Medical University Vienna, the University of Veterinary Medicine Vienna and the Vienna University of Technology to provide a platform for supporting PhD projects on an integrated drug discovery approach. The consortium is interested in the basic mechanisms by which ion channels and transporters are modulated by drugs or natural products. Within the DP we will exploit the different methods and expertise present in the consortium, which include electrophysiological techniques, methods of pharmacoinformatics, generation of animal models, chemical synthesis of natural products and chemical compound libraries, mutational analysis, biophysics and mathematical modeling. Special attention will also be drawn to off-pharmacology, such as the hERG potassium channel. Besides the daily interaction between the supervisor and the PhD students the teaching and training concept comprises also a lab rotation at the beginning of the thesis, a journal club, a MolTag seminar, and an annual scientific retreat organized by the students. Appointment of a co-supervisor, development of a personal career plan for the students, a series of enabling skills seminars and establishment of a scientific advisory board will guarantee a high quality of supervision. Last but not least students are encouraged to spend 3-6 months at a research group abroad.

Consortium
  • Anna Weinzinger, Universität Wien
    consortium member (01.03.2011 - 29.02.2024)
  • Gerhard F. Ecker, Universität Wien
    consortium member (01.03.2011 - 29.02.2024)
  • Harald Sitte
    consortium member (01.03.2011 - 29.02.2024)
  • Johann Georg Danzl, Institute of Science and Technology Austria - ISTA
    consortium member (01.03.2011 - 29.02.2024)
  • Leticia Gonzalez, Universität Wien
    consortium member (01.03.2011 - 29.02.2024)
  • Margot Ernst, Medizinische Universität Wien
    consortium member (01.03.2011 - 29.02.2024)
  • Nuno Maulide, Universität Wien
    consortium member (01.03.2011 - 29.02.2024)
Research institution(s)
  • Institute of Science and Technology Austria - ISTA
  • Universität Wien
  • Medizinische Universität Wien
  • Technische Universität Wien
  • Universität Wien
Project participants
  • Gaia Novarino, Institute of Science and Technology Austria - ISTA , associated research partner
  • Marko D. Mihovilovic, Technische Universität Wien , associated research partner
  • Margot Ernst, Medizinische Universität Wien , associated research partner
International project participants
  • Troels Skrydstrup, Aarhus University - Denmark
  • Uwe T. Bornscheuer, Universität Greifswald - Germany
  • Thorsten Bach, Technische Universität München - Germany
  • Walter Thiel, Max-Planck-Gesellschaft - Germany
  • Manfred T. Reetz, Max-Planck-Gesellschaft - Germany
  • Gerhard Wolber, Freie Universität Berlin - Germany
  • Wolfgang Sippl, Martin-Luther-Universität Halle-Wittenberg - Germany
  • Martin Hrabe De Angelis, Helmholtz Zentrum München - Germany
  • Berend L. De Groot, Max-Planck-Gesellschaft - Germany
  • György Panyi, University of Debrecen - Hungary
  • Andras Malnasi-Csizmadia, Eötvös University - Hungary
  • Antimo Gioiello, University of Perugia - Italy
  • Gabriela Costantino, University of Parma - Italy
  • Maurizio Recanatini, University of Bologna - Italy
  • Maurizio Botta, Universita degli Studi di Siena - Italy
  • Marc A. Vos, University Medical Center Utrecht - Netherlands
  • Nico Vermeulen, Vrije Universiteit Amsterdam - Netherlands
  • Luis F. Veiros, University of Lisbon - Portugal
  • Lubica Lacinova, Slovak Academy of Sciences - Slovakia
  • Ferran Sanz, Universitat Pompeu Fabra - Spain
  • Johannes Wilbertz, Karolinska Institutet - Sweden
  • Jerome Waser, École polytechnique fédérale de Lausanne - Switzerland
  • Steffen Hamburger, Universität Basel - Switzerland
  • Matthias Hamburger, Universität Basel - Switzerland
  • Erwin Sigel, University of Bern - Switzerland
  • Supot Hannongbua, Chulalongkorn University - Thailand
  • Supa Hannongbua, Kasetsart University - Thailand
  • Harry A. Fozzard, University of Chicago - USA
  • Samuel C. Dudley, University of Minnesota - USA
  • Jon D. Stewart, University of Florida - USA
  • Avner Schlessinger, Icahn School of Medicine at Mount Sinai - USA
  • Michael C. Sanguinetti, University of Utah - USA
  • Gregory M. Lipkind, University of Chicago - USA
  • Dirk Trauner, University of Pennsylvania - USA
  • Francisco Bezanilla, University of Chicago - USA
  • Andrew Jenkins, Emory University - USA
  • Kendall N. Houk, University of California at Los Angeles - USA
  • Francesco Tombola, University of California at Irvine - USA
  • Ehud Isacoff, University of California Berkeley - USA
  • Robert S. Eisenberg, Rush University Medical Center - USA
  • Gregory Hockerman, Purdue University - USA
  • Michael F. Sheets, University of Utah - USA
  • Katherine A. Kantardjieff, California State University San Marcos - USA
  • Dorothy A. Hanck, University of Chicago - USA
  • James M. Cook, University of Wisconsin-Milwaukee - USA
  • Ulrich Zachariae, University of Dundee

Research Output

  • 8209 Citations
  • 328 Publications
Publications
  • 2023
    Title Overlapping and Distinct Features of Cardiac Pathology in Inherited Human and Murine Ether Lipid Deficiency
    DOI 10.3390/ijms24031884
    Type Journal Article
    Author Dorninger F
    Journal International Journal of Molecular Sciences
    Pages 1884
    Link Publication
  • 2023
    Title Editorial: Old and new psychoactive substances: Pharmacology and potential applications
    DOI 10.3389/fpsyt.2022.1087005
    Type Journal Article
    Author Mayer F
    Journal Frontiers in Psychiatry
    Pages 1087005
    Link Publication
  • 2023
    Title GABAA receptor-mediated seizure liabilities: a mixed-methods screening approach
    DOI 10.1007/s10565-023-09803-y
    Type Journal Article
    Author Bampali K
    Journal Cell Biology and Toxicology
    Pages 2793-2819
    Link Publication
  • 2022
    Title CHD8 haploinsufficiency links autism to transient alterations in excitatory and inhibitory trajectories
    DOI 10.1016/j.celrep.2022.110615
    Type Journal Article
    Author Villa C
    Journal Cell Reports
    Pages 110615
    Link Publication
  • 2022
    Title Occlusion of the human serotonin transporter is mediated by serotonin-induced conformational changes in the bundle domain
    DOI 10.1016/j.jbc.2022.101613
    Type Journal Article
    Author Gradisch R
    Journal Journal of Biological Chemistry
    Pages 101613
    Link Publication
  • 2023
    Title New Strategies for the Functionalization of Carbonyl Derivatives via a-Umpolung: From Enolates to Enolonium Ions
    DOI 10.1021/acs.accounts.3c00171
    Type Journal Article
    Author Spieß P
    Journal Accounts of Chemical Research
    Pages 1634-1644
    Link Publication
  • 2024
    Title Bioisosteric analogs of MDMA: Improving the pharmacological profile?
    DOI 10.1111/jnc.16149
    Type Journal Article
    Author Alberto-Silva A
    Journal Journal of Neurochemistry
    Pages 2022-2042
    Link Publication
  • 2024
    Title In silico models of the macromolecular NaV1.5-KIR2.1 complex
    DOI 10.3389/fphys.2024.1362964
    Type Journal Article
    Author Stary-Weinzinger A
    Journal Frontiers in Physiology
    Pages 1362964
    Link Publication
  • 2024
    Title Super-resolution expansion microscopy in plant roots
    DOI 10.1101/2024.02.21.581330
    Type Preprint
    Author Gallei M
    Pages 2024.02.21.581330
    Link Publication
  • 2024
    Title De novo variants in GABRA4 are associated with a neurological phenotype including developmental delay, behavioral abnormalities and epilepsy
    DOI 10.1038/s41431-024-01600-3
    Type Journal Article
    Author Sajan S
    Journal European Journal of Human Genetics
    Pages 912-919
    Link Publication
  • 2024
    Title PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy
    DOI 10.1002/anie.202318127
    Type Journal Article
    Author Saridakis I
    Journal Angewandte Chemie International Edition
    Link Publication
  • 2024
    Title Ethosuximide: subunit- and Gß?-dependent blocker and reporter of allosteric changes in GIRK channels
    DOI 10.1101/2024.06.04.597296
    Type Preprint
    Author Shalomov B
    Pages 2024.06.04.597296
    Link Publication
  • 2024
    Title PyrAt-Verbindungen: Modulare organische Salze mit großen Stokes-Verschiebungen für die Fluoreszenzmikroskopie
    DOI 10.1002/ange.202318127
    Type Journal Article
    Author Saridakis I
    Journal Angewandte Chemie
    Link Publication
  • 2024
    Title Bioisosteric analogs of MDMA with improved pharmacological profile
    DOI 10.1101/2024.04.08.588083
    Type Preprint
    Author Alberto-Silva A
    Pages 2024.04.08.588083
    Link Publication
  • 2024
    Title Bioactivity descriptors for in vivo toxicity prediction: now and the future
    DOI 10.1080/17425255.2024.2334308
    Type Journal Article
    Author Helmke P
    Journal Expert Opinion on Drug Metabolism & Toxicology
    Pages 541-543
    Link Publication
  • 2024
    Title Human hippocampal CA3 uses specific functional connectivity rules for efficient associative memory
    DOI 10.1101/2024.05.02.592169
    Type Preprint
    Author Watson J
    Pages 2024.05.02.592169
    Link Publication
  • 2024
    Title ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction
    DOI 10.1039/d4ra00748d
    Type Journal Article
    Author Huang J
    Journal RSC Advances
    Pages 13083-13094
    Link Publication
  • 2025
    Title Prolintane analogs as hybrid monoamine transporter ligands: Structural determinants and species differences
    DOI 10.1016/j.jbc.2025.110903
    Type Journal Article
    Author Kastner N
    Journal Journal of Biological Chemistry
    Pages 110903
    Link Publication
  • 2025
    Title Next-Generation MDMA Analogue SDMA: Pharmacological and Metabolic Insights
    DOI 10.1021/acschemneuro.5c00782
    Type Journal Article
    Author Kastner N
    Journal ACS Chemical Neuroscience
    Pages 4725-4740
    Link Publication
  • 2024
    Title Proteochemometric modeling strengthens the role of Q299 for GABA transporter subtype selectivity
    DOI 10.1101/2024.08.13.607728
    Type Preprint
    Author Kickinger S
    Pages 2024.08.13.607728
    Link Publication
  • 2024
    Title Ligand coupling mechanism of the human serotonin transporter differentiates substrates from inhibitors
    DOI 10.1038/s41467-023-44637-6
    Type Journal Article
    Author Gradisch R
    Journal Nature Communications
    Pages 417
    Link Publication
  • 2024
    Title Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method
    DOI 10.1021/acs.jpcb.4c06924
    Type Journal Article
    Author Gallmetzer H
    Journal The Journal of Physical Chemistry B
    Pages 385-397
    Link Publication
  • 2024
    Title Probes for the heterogeneity of muscimol binding sites in rat brain
    DOI 10.3389/fphar.2024.1368527
    Type Journal Article
    Author Müller V
    Journal Frontiers in Pharmacology
    Pages 1368527
    Link Publication
  • 2024
    Title Human hippocampal CA3 uses specific functional connectivity rules for efficient associative memory
    DOI 10.1016/j.cell.2024.11.022
    Type Journal Article
    Author Watson J
    Journal Cell
    Link Publication
  • 2024
    Title Reaction blueprints and logical control flow for parallelized chiral synthesis in the Chemputer
    DOI 10.1038/s41467-024-54238-6
    Type Journal Article
    Author Šiauciulis M
    Journal Nature Communications
    Pages 10261
    Link Publication
  • 2023
    Title Dense 4D nanoscale reconstruction of living brain tissue
    DOI 10.1038/s41592-023-01936-6
    Type Journal Article
    Author Velicky P
    Journal Nature Methods
    Pages 1256-1265
    Link Publication
  • 2025
    Title PIP2-driven cytoplasmic domain motions are coupled to Kir2 channel gating
    DOI 10.1085/jgp.202513864
    Type Journal Article
    Author Zangerl-Plessl E
    Journal Journal of General Physiology
  • 2025
    Title Synthesis of Sterically Congested Carbonyl Compounds via an ipso-Selective Sulfonium Rearrangement
    DOI 10.1021/jacs.5c13777
    Type Journal Article
    Author Klose I
    Journal Journal of the American Chemical Society
    Pages 37899-37906
    Link Publication
  • 2025
    Title Live-cell quantitative monitoring reveals distinct, high-affinity Gß? regulations of GIRK2 and GIRK1/2 channels
    DOI 10.1101/2025.10.15.682510
    Type Preprint
    Author Handklo-Jamal R
    Pages 2025.10.15.682510
    Link Publication
  • 2025
    Title Neurotransmitter Transporters—Unraveling Molecular Mechanisms and Therapeutic Opportunities
    DOI 10.1111/jnc.70240
    Type Journal Article
    Author Sitte H
    Journal Journal of Neurochemistry
    Link Publication
  • 2025
    Title Nezavist (DCUK-OEt) and aminoquinoline analogues interact with the etomidate site and display a complex mode of modulatory action of the GABAA receptor
    DOI 10.1016/j.ejphar.2025.178464
    Type Journal Article
    Author Simeone X
    Journal European Journal of Pharmacology
    Pages 178464
  • 2025
    Title Investigating the bioorthogonality of isocyanides
    DOI 10.1039/d5cc04136h
    Type Journal Article
    Author Nakao R
    Journal Chemical Communications
  • 2025
    Title Live-cell quantitative monitoring reveals distinct, high-affinity Gß? regulations of GIRK2 and GIRK1/2 channels
    DOI 10.1038/s41467-025-66730-8
    Type Journal Article
    Author Handklo-Jamal R
    Journal Nature Communications
    Pages 11607
    Link Publication
  • 2025
    Title Careful Examination of a Novel Azobenzene Paroxetine Derivative and Its Interactions With Biogenic Amine Transporters
    DOI 10.1111/jnc.70068
    Type Journal Article
    Author Dreier D
    Journal Journal of Neurochemistry
    Link Publication
  • 2025
    Title Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials
    DOI 10.1039/d5dd00044k
    Type Journal Article
    Author Tiefenbacher M
    Journal Digital Discovery
    Pages 1478-1491
    Link Publication
  • 2025
    Title Image-based 3D active sample stabilization on the nanometer scale for optical microscopy
    DOI 10.1016/j.bpr.2025.100211
    Type Journal Article
    Author Vorlaufer J
    Journal Biophysical Reports
    Pages 100211
    Link Publication
  • 2025
    Title Light-microscopy-based connectomic reconstruction of mammalian brain tissue
    DOI 10.1038/s41586-025-08985-1
    Type Journal Article
    Author Tavakoli M
    Journal Nature
    Pages 398-410
    Link Publication
  • 2025
    Title A F420-dependent Single Domain Chemogenetic Tool for Protein De-dimerization
    DOI 10.1016/j.jmb.2025.169184
    Type Journal Article
    Author Antoney J
    Journal Journal of Molecular Biology
    Pages 169184
    Link Publication
  • 2025
    Title Data Exploration for Target Predictions Using Proprietary and Publicly Available Data Sets
    DOI 10.1021/acs.chemrestox.4c00347
    Type Journal Article
    Author Smajic´ A
    Journal Chemical Research in Toxicology
    Pages 820-833
    Link Publication
  • 2025
    Title Ethosuximide: Subunit- and Gß?-dependent blocker and reporter of allosteric changes in GIRK channels
    DOI 10.1111/bph.17446
    Type Journal Article
    Author Shalomov B
    Journal British Journal of Pharmacology
    Pages 1704-1718
    Link Publication
  • 2025
    Title Image-based 3D active sample stabilization on the nanometer scale for optical microscopy
    DOI 10.1101/2025.01.10.629211
    Type Preprint
    Author Vorlaufer J
    Pages 2025.01.10.629211
    Link Publication
  • 2025
    Title Super-resolution expansion microscopy in plant roots
    DOI 10.1093/plcell/koaf006
    Type Journal Article
    Author Gallei M
    Journal The Plant Cell
    Link Publication
  • 2025
    Title Mutation hot spots for clinical pathogenicity across the SLC6 transporter family
    DOI 10.1101/2025.01.24.634481
    Type Preprint
    Author Huang J
    Pages 2025.01.24.634481
    Link Publication
  • 2025
    Title Fluorescent PyrAte-( S )-citalopram conjugates enable imaging of the serotonin transporter in living tissue
    DOI 10.1039/d4sc06949h
    Type Journal Article
    Author Belleza O
    Journal Chemical Science
    Pages 6003-6013
    Link Publication
  • 2025
    Title Mechanistic Insight into para-Substituent Control of Thermal Half-Lives in Arylazopyrazole Photoswitches
    DOI 10.26434/chemrxiv-2025-3b6h4
    Type Preprint
    Author Schlögl K
    Link Publication
  • 2025
    Title PharmAverse: An Interactive Dashboard Using MedDRA Hierarchy
    DOI 10.1101/2025.06.17.660110
    Type Preprint
    Author Omran A
    Pages 2025.06.17.660110
    Link Publication
  • 2023
    Title Imaging brain tissue architecture across millimeter to nanometer scales
    DOI 10.1038/s41587-023-01911-8
    Type Journal Article
    Author Michalska J
    Journal Nature Biotechnology
    Pages 1051-1064
    Link Publication
  • 2023
    Title Mephedrone induces partial release at human dopamine transporters but full release at human serotonin transporters
    DOI 10.1016/j.neuropharm.2023.109704
    Type Journal Article
    Author Mayer F
    Journal Neuropharmacology
    Pages 109704
    Link Publication
  • 2023
    Title Singlet and Triplet Pathways Determine the Thermal Z/E Isomerization of an Arylazopyrazole-Based Photoswitch
    DOI 10.1021/acs.jpclett.3c01785
    Type Journal Article
    Author Singer N
    Journal The Journal of Physical Chemistry Letters
    Pages 8956-8961
    Link Publication
  • 2023
    Title Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter
    DOI 10.1101/2023.09.20.558680
    Type Preprint
    Author Singer N
    Pages 2023.09.20.558680
    Link Publication
  • 2023
    Title Subunit gating resulting from individual protonation events in Kir2 channels
    DOI 10.1038/s41467-023-40058-7
    Type Journal Article
    Author Maksaev G
    Journal Nature Communications
    Pages 4538
    Link Publication
  • 2023
    Title Multi-chamber cardioids unravel human heart development and cardiac defects
    DOI 10.1016/j.cell.2023.10.030
    Type Journal Article
    Author Schmidt C
    Journal Cell
    Link Publication
  • 2023
    Title Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter
    DOI 10.1021/acs.jpclett.3c02655
    Type Journal Article
    Author Singer N
    Journal The Journal of Physical Chemistry Letters
    Pages 10333-10339
  • 2023
    Title Nanoimprinted Hierarchical Micro-/Nanostructured Substrates for the Growth of Cardiomyocyte Fibers
    DOI 10.3390/nanomanufacturing3040026
    Type Journal Article
    Author Mühlberger M
    Journal Nanomanufacturing
    Pages 416-433
    Link Publication
  • 2023
    Title Ni-Catalyzed Stereoconvergent Reductive Dimerization of Bromocyclobutenes
    DOI 10.1021/acs.orglett.3c03909
    Type Journal Article
    Author Spieß P
    Journal Organic Letters
    Pages 355-359
    Link Publication
  • 2023
    Title A neolignan from Connarus tuberosus as an allosteric GABAA receptor modulator at the neurosteroid binding site
    DOI 10.1016/j.biopha.2023.114498
    Type Journal Article
    Author Faleschini T
    Journal Biomedicine & Pharmacotherapy
    Pages 114498
    Link Publication
  • 2023
    Title Subunit gating resulting from individual protonation events in Kir2 channels
    DOI 10.21203/rs.3.rs-2640647/v1
    Type Preprint
    Author Maksaev G
    Link Publication
  • 2023
    Title Binding of RPR260243 at the intracellular side of the hERG1 channel pore domain slows closure of the helix bundle crossing gate
    DOI 10.3389/fmolb.2023.1137368
    Type Journal Article
    Author Zangerl-Plessl E
    Journal Frontiers in Molecular Biosciences
    Pages 1137368
    Link Publication
  • 2023
    Title Nonadiabatic Forward Flux Sampling for Excited-State Rare Events
    DOI 10.1021/acs.jctc.2c01088
    Type Journal Article
    Author Reiner M
    Journal Journal of Chemical Theory and Computation
    Pages 1657-1671
    Link Publication
  • 2023
    Title Toxicity prediction using target, interactome, and pathway profiles as descriptors
    DOI 10.1016/j.toxlet.2023.04.005
    Type Journal Article
    Author Füzi B
    Journal Toxicology Letters
    Pages 20-26
    Link Publication
  • 2023
    Title Novel pyrazolothienopyridinones as potential GABAA receptor modulators
    DOI 10.1007/s00706-023-03063-6
    Type Journal Article
    Author Vega Alanis B
    Journal Monatshefte für Chemie - Chemical Monthly
    Pages 1427-1439
    Link Publication
  • 2023
    Title Large neutral amino acid levels tune perinatal neuronal excitability and survival
    DOI 10.1016/j.cell.2023.02.037
    Type Journal Article
    Author Knaus L
    Journal Cell
    Link Publication
  • 2023
    Title A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance
    DOI 10.3390/molecules28020495
    Type Journal Article
    Author Huang J
    Journal Molecules
    Pages 495
    Link Publication
  • 2023
    Title Navigating the complex landscape of benzodiazepine- and Z-drug diversity: insights from comprehensive FDA adverse event reporting system analysis and beyond
    DOI 10.3389/fpsyt.2023.1188101
    Type Journal Article
    Author Koniuszewski F
    Journal Frontiers in Psychiatry
    Pages 1188101
    Link Publication
  • 2023
    Title Assessing network-based methods in the context of system toxicology
    DOI 10.3389/fphar.2023.1225697
    Type Journal Article
    Author Valls-Margarit J
    Journal Frontiers in Pharmacology
    Pages 1225697
    Link Publication
  • 2023
    Title Assay for evaluation of proarrhythmic effects of herbal products: Case study with 12 Evodia preparations
    DOI 10.1016/j.toxrep.2023.04.014
    Type Journal Article
    Author Baltov B
    Journal Toxicology Reports
    Pages 589-599
    Link Publication
  • 2021
    Title Direct Synthesis of Enamides via Electrophilic Activation of Amides
    DOI 10.1021/jacs.1c04363
    Type Journal Article
    Author Spieß P
    Journal Journal of the American Chemical Society
    Pages 10524-10529
    Link Publication
  • 2021
    Title A Light-Oxygen-Voltage Receptor Integrates Light and Temperature
    DOI 10.1016/j.jmb.2021.167107
    Type Journal Article
    Author Dietler J
    Journal Journal of Molecular Biology
    Pages 167107
  • 2021
    Title It takes two—or more—to tango: Revisiting the role of dopamine transporter oligomerization
    DOI 10.1016/j.jbc.2021.100629
    Type Journal Article
    Author Gether U
    Journal Journal of Biological Chemistry
    Pages 100629
    Link Publication
  • 2021
    Title Biological Profiling of Semisynthetic C19-Functionalized Ferruginol and Sugiol Analogues
    DOI 10.3390/antibiotics10020184
    Type Journal Article
    Author González-Cardenete M
    Journal Antibiotics
    Pages 184
    Link Publication
  • 2021
    Title Optogenetic delivery of trophic signals in a genetic model of Parkinson’s disease
    DOI 10.1371/journal.pgen.1009479
    Type Journal Article
    Author Ingles-Prieto A
    Journal PLOS Genetics
    Link Publication
  • 2021
    Title Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro
    DOI 10.3389/fphar.2021.654061
    Type Journal Article
    Author Niello M
    Journal Frontiers in Pharmacology
    Pages 654061
    Link Publication
  • 2021
    Title Positive modulation of cerebellar a6GABAA receptors for treating essential tremor: a proof-of-concept study in harmaline-treated mice
    DOI 10.1101/2021.04.19.440397
    Type Preprint
    Author Huang Y
    Pages 2021.04.19.440397
    Link Publication
  • 2021
    Title Investigation of Leoligin Derivatives as NF-?? Inhibitory Agents
    DOI 10.3390/biomedicines10010062
    Type Journal Article
    Author Linder T
    Journal Biomedicines
    Pages 62
    Link Publication
  • 2021
    Title Translating the Role of mTOR- and RAS-Associated Signalopathies in Autism Spectrum Disorder: Models, Mechanisms and Treatment
    DOI 10.3390/genes12111746
    Type Journal Article
    Author Vasic V
    Journal Genes
    Pages 1746
    Link Publication
  • 2021
    Title Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1
    DOI 10.3389/fchem.2021.736457
    Type Journal Article
    Author Kickinger S
    Journal Frontiers in Chemistry
    Pages 736457
    Link Publication
  • 2021
    Title Roaming leads to amino acid photodamage: A deep learning study of tyrosine
    DOI 10.48550/arxiv.2108.04373
    Type Preprint
    Author Westermayr J
  • 2021
    Title An Overview of Cell-Based Assay Platforms for the Solute Carrier Family of Transporters
    DOI 10.3389/fphar.2021.722889
    Type Journal Article
    Author Dvorak V
    Journal Frontiers in Pharmacology
    Pages 722889
    Link Publication
  • 2021
    Title Simulating PIP2-Induced Gating Transitions in Kir6.2 Channels
    DOI 10.3389/fmolb.2021.711975
    Type Journal Article
    Author Bründl M
    Journal Frontiers in Molecular Biosciences
    Pages 711975
    Link Publication
  • 2021
    Title Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs
    DOI 10.3389/fphar.2021.708296
    Type Journal Article
    Author Füzi B
    Journal Frontiers in Pharmacology
    Pages 708296
    Link Publication
  • 2021
    Title Role of amino terminal substitutions in the pharmacological, rewarding and psychostimulant profiles of novel synthetic cathinones
    DOI 10.1016/j.neuropharm.2021.108475
    Type Journal Article
    Author Duart-Castells L
    Journal Neuropharmacology
    Pages 108475
    Link Publication
  • 2021
    Title The role of hydrogen bonding in the incommensurate modulation of myo-inositol camphor ketal
    DOI 10.1107/s2052520620015929
    Type Journal Article
    Author Savic V
    Journal Acta Crystallographica Section B
    Pages 83-92
    Link Publication
  • 2021
    Title Constitutive Endocytosis of the Neuronal Glutamate Transporter Excitatory Amino Acid Transporter-3 Requires ARFGAP1
    DOI 10.3389/fphys.2021.671034
    Type Journal Article
    Author Saha K
    Journal Frontiers in Physiology
    Pages 671034
    Link Publication
  • 2021
    Title a-PPP and its derivatives are selective partial releasers at the human norepinephrine transporter A pharmacological characterization of interactions between pyrrolidinopropiophenones and uptake1 and uptake2 monoamine transporters
    DOI 10.1016/j.neuropharm.2021.108570
    Type Journal Article
    Author Maier J
    Journal Neuropharmacology
    Pages 108570
    Link Publication
  • 2021
    Title Handling of intracellular K+ determines voltage dependence of plasmalemmal monoamine transporter function
    DOI 10.7554/elife.67996
    Type Journal Article
    Author Bhat S
    Journal eLife
    Link Publication
  • 2021
    Title Cul3 regulates cytoskeleton protein homeostasis and cell migration during a critical window of brain development
    DOI 10.1038/s41467-021-23123-x
    Type Journal Article
    Author Morandell J
    Journal Nature Communications
    Pages 3058
    Link Publication
  • 2021
    Title Simulating PIP2-induced gating transitions in Kir6.2 channels
    DOI 10.1101/2021.05.20.445012
    Type Preprint
    Author Bründl M
    Pages 2021.05.20.445012
    Link Publication
  • 2021
    Title Chemo-Enzymatic Cascade for the Generation of Fragrance Aldehydes
    DOI 10.3390/catal11080932
    Type Journal Article
    Author Schwendenwein D
    Journal Catalysts
    Pages 932
    Link Publication
  • 2022
    Title Serotonin-releasing agents with reduced off-target effects
    DOI 10.21203/rs.3.rs-1886596/v1
    Type Preprint
    Author Mayer F
    Link Publication
  • 2022
    Title Structural basis of organic cation transporter-3 inhibition
    DOI 10.1038/s41467-022-34284-8
    Type Journal Article
    Author Khanppnavar B
    Journal Nature Communications
    Pages 6714
    Link Publication
  • 2022
    Title Serotonin-releasing agents with reduced off-target effects
    DOI 10.1038/s41380-022-01843-w
    Type Journal Article
    Author Mayer F
    Journal Molecular Psychiatry
    Pages 722-732
    Link Publication
  • 2022
    Title Novel alpha6 preferring GABA-A receptor ligands based on loreclezole
    DOI 10.1016/j.ejmech.2022.114780
    Type Journal Article
    Author Simeone X
    Journal European Journal of Medicinal Chemistry
    Pages 114780
  • 2022
    Title Deep learning study of tyrosine reveals that roaming can lead to photodamage
    DOI 10.1038/s41557-022-00950-z
    Type Journal Article
    Author Westermayr J
    Journal Nature Chemistry
    Pages 914-919
    Link Publication
  • 2020
    Title Image Based Liver Toxicity Prediction
    DOI 10.1021/acs.jcim.9b00713
    Type Journal Article
    Author Asilar E
    Journal Journal of Chemical Information and Modeling
    Pages 1111-1121
    Link Publication
  • 2020
    Title A novel de novo variant of GABRA1 causes increased sensitivity for GABA in vitro
    DOI 10.1038/s41598-020-59323-6
    Type Journal Article
    Author Steudle F
    Journal Scientific Reports
    Pages 2379
    Link Publication
  • 2020
    Title Design and Synthesis of a Compound Library Exploiting 5-Methoxyleoligin as Potential Cholesterol Efflux Promoter
    DOI 10.3390/molecules25030662
    Type Journal Article
    Author Linder T
    Journal Molecules
    Pages 662
    Link Publication
  • 2020
    Title Allosteric GABAA Receptor Modulators—A Review on the Most Recent Heterocyclic Chemotypes and Their Synthetic Accessibility †
    DOI 10.3390/molecules25040999
    Type Journal Article
    Author Alanis B
    Journal Molecules
    Pages 999
    Link Publication
  • 2020
    Title In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways
    DOI 10.1002/wcms.1475
    Type Journal Article
    Author Hemmerich J
    Journal Wiley Interdisciplinary Reviews: Computational Molecular Science
    Link Publication
  • 2020
    Title Gold-Catalyzed Cycloisomerization of Sulfur Ylides to Dihydrobenzothiepines
    DOI 10.1002/chem.202000622
    Type Journal Article
    Author Knittl-Frank C
    Journal Chemistry – A European Journal
    Pages 10972-10975
    Link Publication
  • 2020
    Title COVER: conformational oversampling as data augmentation for molecules
    DOI 10.1186/s13321-020-00420-z
    Type Journal Article
    Author Hemmerich J
    Journal Journal of Cheminformatics
    Pages 18
    Link Publication
  • 2020
    Title Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity
    DOI 10.1002/minf.202000005
    Type Journal Article
    Author Hemmerich J
    Journal Molecular Informatics
    Pages 2000005
    Link Publication
  • 2020
    Title GABAA Receptor Ligands Often Interact with Binding Sites in the Transmembrane Domain and in the Extracellular Domain—Can the Promiscuity Code Be Cracked?
    DOI 10.3390/ijms21010334
    Type Journal Article
    Author Iorio M
    Journal International Journal of Molecular Sciences
    Pages 334
    Link Publication
  • 2020
    Title Propafenone analogue with additional H-bond acceptor group shows increased inhibitory activity on P-glycoprotein
    DOI 10.1002/ardp.201900269
    Type Journal Article
    Author Cseke A
    Journal Archiv der Pharmazie
    Link Publication
  • 2020
    Title Solving the trade-off by differences in handling of intracellular K+: why substrate translocation by the dopamine transporter but not by the serotonin transporter is voltage-dependent
    DOI 10.1101/2020.07.09.196642
    Type Preprint
    Author Bhat S
    Pages 2020.07.09.196642
  • 2020
    Title Design and Application of Light-Regulated Receptor Tyrosine Kinases
    DOI 10.1007/978-1-0716-0755-8_16
    Type Book Chapter
    Author Kainrath S
    Publisher Springer Nature
    Pages 233-246
  • 2020
    Title An a-Cyclopropanation of Carbonyl Derivatives by Oxidative Umpolung
    DOI 10.1002/anie.202007439
    Type Journal Article
    Author Bauer A
    Journal Angewandte Chemie International Edition
    Pages 18208-18212
    Link Publication
  • 2022
    Title Molecular Mingling: Multimodal Predictions of Ligand Promiscuity in Pentameric Ligand-Gated Ion Channels
    DOI 10.3389/fmolb.2022.860246
    Type Journal Article
    Author Koniuszewski F
    Journal Frontiers in Molecular Biosciences
    Pages 860246
    Link Publication
  • 2022
    Title Taming Keteniminium Reactivity by Steering Reaction Pathways: Computational Predictions and Experimental Validations
    DOI 10.1021/jacs.2c09146
    Type Journal Article
    Author Maskeri M
    Journal Journal of the American Chemical Society
    Pages 23358-23367
    Link Publication
  • 2022
    Title A F420-dependent single domain chemogenetic tool for protein de-dimerization
    DOI 10.1101/2022.11.07.515376
    Type Preprint
    Author Antoney J
    Pages 2022.11.07.515376
    Link Publication
  • 2022
    Title Cys-loop receptors on cannabinoids: All high?
    DOI 10.3389/fphys.2022.1044575
    Type Journal Article
    Author Schmiedhofer P
    Journal Frontiers in Physiology
    Pages 1044575
    Link Publication
  • 2022
    Title Novel synthetic procedures for C2 substituted imidazoquinolines as ligands for the a/ß-interface of the GABAA-receptor
    DOI 10.1007/s00706-022-02988-8
    Type Journal Article
    Author Draskovits M
    Journal Monatshefte für Chemie - Chemical Monthly
    Pages 1391-1404
    Link Publication
  • 2022
    Title Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening
    DOI 10.1021/acs.jcim.2c00814
    Type Journal Article
    Author Heider J
    Journal Journal of Chemical Information and Modeling
    Pages 101-110
    Link Publication
  • 2022
    Title Inverse hydride shuttle catalysis enables the stereoselective one-step synthesis of complex frameworks
    DOI 10.1038/s41557-022-00991-4
    Type Journal Article
    Author Klose I
    Journal Nature Chemistry
    Pages 1306-1310
    Link Publication
  • 2022
    Title A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance
    DOI 10.20944/preprints202210.0066.v1
    Type Preprint
    Author Huang J
    Link Publication
  • 2022
    Title A selectivity filter mutation provides insights into gating regulation of a K+ channel
    DOI 10.1038/s42003-022-03303-1
    Type Journal Article
    Author Friesacher T
    Journal Communications Biology
    Pages 345
    Link Publication
  • 2022
    Title Saturated reconstruction of living brain tissue
    DOI 10.1101/2022.03.16.484431
    Type Preprint
    Author Velicky P
    Pages 2022.03.16.484431
    Link Publication
  • 2022
    Title a-Conotoxin RgIA and oligoarginine R8 in the mice model alleviate long-term oxaliplatin induced neuropathy
    DOI 10.1016/j.biochi.2021.12.013
    Type Journal Article
    Author Dyachenko I
    Journal Biochimie
    Pages 127-136
  • 2022
    Title Development of IKATP Ion Channel Blockers Targeting Sulfonylurea Resistant Mutant KIR6.2 Based Channels for Treating DEND Syndrome
    DOI 10.3389/fphar.2021.814066
    Type Journal Article
    Author Houtman M
    Journal Frontiers in Pharmacology
    Pages 814066
    Link Publication
  • 2022
    Title A de novo missense variant in GABRA4 alters receptor function in an epileptic and neurodevelopmental phenotype
    DOI 10.1111/epi.17188
    Type Journal Article
    Author Vogel F
    Journal Epilepsia
    Link Publication
  • 2022
    Title Unravelling Mechanisms of Doxorubicin-Induced Toxicity in 3D Human Intestinal Organoids
    DOI 10.3390/ijms23031286
    Type Journal Article
    Author Rodrigues D
    Journal International Journal of Molecular Sciences
    Pages 1286
    Link Publication
  • 2022
    Title Tricyclic antipsychotics and antidepressants can inhibit a5-containing GABAA receptors by two distinct mechanisms
    DOI 10.1111/bph.15807
    Type Journal Article
    Author Bampali K
    Journal British Journal of Pharmacology
    Pages 3675-3692
    Link Publication
  • 2022
    Title Structural basis of organic cation transporter-3 inhibition
    DOI 10.1101/2022.07.14.499921
    Type Preprint
    Author Khanppnavar B
    Pages 2022.07.14.499921
    Link Publication
  • 2022
    Title Uncovering brain tissue architecture across scales with super-resolution light microscopy
    DOI 10.1101/2022.08.17.504272
    Type Preprint
    Author Michalska J
    Pages 2022.08.17.504272
    Link Publication
  • 2022
    Title ß subunits of GABAA receptors form proton-gated chloride channels: Insights into the molecular basis
    DOI 10.1038/s42003-022-03720-2
    Type Journal Article
    Author Garifulina A
    Journal Communications Biology
    Pages 784
    Link Publication
  • 2022
    Title Nonadiabatic forward flux sampling for excited-state rare events
    DOI 10.48550/arxiv.2208.00686
    Type Preprint
    Author Reiner M
  • 2022
    Title Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABAA Receptors
    DOI 10.1002/anie.202205198
    Type Journal Article
    Author Singer N
    Journal Angewandte Chemie International Edition
    Link Publication
  • 2022
    Title Clerodane Diterpenes from Casearia corymbosa as Allosteric GABAA Receptor Modulators
    DOI 10.1021/acs.jnatprod.1c00840
    Type Journal Article
    Author Syafni N
    Journal Journal of Natural Products
    Pages 1201-1210
    Link Publication
  • 2022
    Title Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABAA Receptors
    DOI 10.1002/ange.202205198
    Type Journal Article
    Author Singer N
    Journal Angewandte Chemie
    Link Publication
  • 2022
    Title KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study
    DOI 10.1186/s13321-022-00615-6
    Type Journal Article
    Author Füzi B
    Journal Journal of Cheminformatics
    Pages 37
    Link Publication
  • 2021
    Title Interaction Profiles of Central Nervous System Active Drugs at Human Organic Cation Transporters 1–3 and Human Plasma Membrane Monoamine Transporter
    DOI 10.3390/ijms222312995
    Type Journal Article
    Author Angenoorth T
    Journal International Journal of Molecular Sciences
    Pages 12995
    Link Publication
  • 2015
    Title Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3
    DOI 10.1021/acschemneuro.5b00150
    Type Journal Article
    Author Damgaard M
    Journal ACS Chemical Neuroscience
    Pages 1591-1599
  • 2015
    Title Human Ether-à-go-go Related Gene (hERG) Channel Blocking Aporphine Alkaloids from Lotus Leaves and Their Quantitative Analysis in Dietary Weight Loss Supplements
    DOI 10.1021/acs.jafc.5b01901
    Type Journal Article
    Author Grienke U
    Journal Journal of Agricultural and Food Chemistry
    Pages 5634-5639
  • 2015
    Title From Stereodefined Cyclobutenes to Dienes: Total Syntheses of Ieodomycin D and the Southern Fragment of Macrolactin A
    DOI 10.1021/acs.orglett.5b02149
    Type Journal Article
    Author Souris C
    Journal Organic Letters
    Pages 4486-4489
  • 2015
    Title hERG Channel Inhibitory Daphnane Diterpenoid Orthoesters and Polycephalones A and B with Unprecedented Skeletons from Gnidia polycephala
    DOI 10.1021/acs.jnatprod.5b00344
    Type Journal Article
    Author De Mieri M
    Journal Journal of Natural Products
    Pages 1697-1707
  • 2015
    Title Proper Voltage-Dependent Ion Channel Function in Dysferlin-Deficient Cardiomyocytes
    DOI 10.1159/000430278
    Type Journal Article
    Author Rubi L
    Journal Cellular Physiology and Biochemistry
    Pages 1049-1058
    Link Publication
  • 2015
    Title The ABC of Phytohormone Translocation
    DOI 10.1055/s-0035-1545880
    Type Journal Article
    Author Hellsberg E
    Journal Planta Medica
    Pages 474-487
    Link Publication
  • 2015
    Title Piperine Congeners as Inhibitors of Vascular Smooth Muscle Cell Proliferation*
    DOI 10.1055/s-0035-1546165
    Type Journal Article
    Author Mair C
    Journal Planta Medica
    Pages 1065-1074
  • 2015
    Title HPLC-Based Activity Profiling for hERG Channel Inhibitors in the South African Medicinal Plant Galenia africana *
    DOI 10.1055/s-0035-1545929
    Type Journal Article
    Author Du K
    Journal Planta Medica
    Pages 1154-1162
  • 2015
    Title Molecular Dynamics Simulations of KirBac1.1 Mutants Reveal Global Gating Changes of Kir Channels
    DOI 10.1021/acs.jcim.5b00010
    Type Journal Article
    Author Linder T
    Journal Journal of Chemical Information and Modeling
    Pages 814-822
    Link Publication
  • 2015
    Title Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening
    DOI 10.4155/fmc.14.168
    Type Journal Article
    Author Goldmann D
    Journal Future medicinal chemistry
    Pages 243-256
    Link Publication
  • 2015
    Title Binding Mode Selection Determines the Action of Ecstasy Homologs at Monoamine Transporters
    DOI 10.1124/mol.115.101394
    Type Journal Article
    Author Sandtner W
    Journal Molecular Pharmacology
    Pages 165-175
    Link Publication
  • 2017
    Title Cocaine adulteration
    DOI 10.1016/j.jchemneu.2017.06.001
    Type Journal Article
    Author Kudlacek O
    Journal Journal of Chemical Neuroanatomy
    Pages 75-81
    Link Publication
  • 2017
    Title Toward Serotonin Fluorescent False Neurotransmitters: Development of Fluorescent Dual Serotonin and Vesicular Monoamine Transporter Substrates for Visualizing Serotonin Neurons
    DOI 10.1021/acschemneuro.7b00320
    Type Journal Article
    Author Henke A
    Journal ACS Chemical Neuroscience
    Pages 925-934
    Link Publication
  • 2017
    Title Occupancy of the Zinc-binding Site by Transition Metals Decreases the Substrate Affinity of the Human Dopamine Transporter by an Allosteric Mechanism*
    DOI 10.1074/jbc.m116.760140
    Type Journal Article
    Author Li Y
    Journal Journal of Biological Chemistry
    Pages 4235-4243
    Link Publication
  • 2017
    Title Towards functional selectivity for a6ß3?2 GABAA receptors: a series of novel pyrazoloquinolinones
    DOI 10.1111/bph.14087
    Type Journal Article
    Author Treven M
    Journal British Journal of Pharmacology
    Pages 419-428
    Link Publication
  • 2017
    Title Key role of segment IS4 in Cav1.2 inactivation: link between activation and inactivation
    DOI 10.1007/s00424-017-2038-3
    Type Journal Article
    Author Andranovits S
    Journal Pflügers Archiv - European Journal of Physiology
    Pages 1485-1493
    Link Publication
  • 2017
    Title Correlation between human ether-a-go-go-related gene channel inhibition and action potential prolongation
    DOI 10.1111/bph.13942
    Type Journal Article
    Author Saxena P
    Journal British Journal of Pharmacology
    Pages 3081-3093
    Link Publication
  • 2017
    Title Linked magnolol dimer as a selective PPAR? agonist – Structure-based rational design, synthesis, and bioactivity evaluation
    DOI 10.1038/s41598-017-12628-5
    Type Journal Article
    Author Dreier D
    Journal Scientific Reports
    Pages 13002
    Link Publication
  • 2017
    Title Structure–Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/?-Aminobutyric Acid Transporter 1 (BGT1)
    DOI 10.1021/acs.jmedchem.7b00924
    Type Journal Article
    Author Jørgensen L
    Journal Journal of Medicinal Chemistry
    Pages 8834-8846
  • 2017
    Title Conserved functional consequences of disease-associated mutations in the slide helix of Kir6.1 and Kir6.2 subunits of the ATP-sensitive potassium channel
    DOI 10.1074/jbc.m117.804971
    Type Journal Article
    Author Cooper P
    Journal Journal of Biological Chemistry
    Pages 17387-17398
    Link Publication
  • 2017
    Title Molecular tools for GABAA receptors: High affinity ligands for ß1-containing subtypes
    DOI 10.1038/s41598-017-05757-4
    Type Journal Article
    Author Simeone X
    Journal Scientific Reports
    Pages 5674
    Link Publication
  • 2017
    Title PA-6 inhibits inward rectifier currents carried by V93I and D172N gain-of-function KIR2.1 channels, but increases channel protein expression
    DOI 10.1186/s12929-017-0352-x
    Type Journal Article
    Author Ji Y
    Journal Journal of Biomedical Science
    Pages 44
    Link Publication
  • 2017
    Title Molecular Basis of Altered hERG1 Channel Gating Induced by Ginsenoside Rg3
    DOI 10.1124/mol.117.108886
    Type Journal Article
    Author Gardner A
    Journal Molecular Pharmacology
    Pages 437-450
    Link Publication
  • 2017
    Title Fluorinated phenmetrazine “legal highs” act as substrates for high-affinity monoamine transporters of the SLC6 family
    DOI 10.1016/j.neuropharm.2017.10.006
    Type Journal Article
    Author Mayer F
    Journal Neuropharmacology
    Pages 149-157
    Link Publication
  • 2017
    Title C2-Modified Sparteine Derivatives Are a New Class of Potentially Long-Acting Sodium Channel Blockers
    DOI 10.1002/cmdc.201700568
    Type Journal Article
    Author Gawali V
    Journal ChemMedChem
    Pages 1819-1822
  • 2017
    Title Development of Non-GAT1-Selective Inhibitors: Challenges and Achievements
    DOI 10.1007/978-3-319-55769-4_16
    Type Book Chapter
    Author Damgaard M
    Publisher Springer Nature
    Pages 315-332
  • 2012
    Title Neutralisation of a single voltage sensor affects gating determinants in all four pore-forming S6 segments of CaV1.2: a cooperative gating model
    DOI 10.1007/s00424-012-1144-5
    Type Journal Article
    Author Beyl S
    Journal Pflügers Archiv - European Journal of Physiology
    Pages 391-401
    Link Publication
  • 2012
    Title Towards an understanding of the psychostimulant action of amphetamine and cocaine
    DOI 10.1007/978-3-211-99751-2_11
    Type Book Chapter
    Author Weissensteiner R
    Publisher Springer Nature
    Pages 183-203
  • 2012
    Title Understanding subtype-selective allosteric modulation of GABAAreceptors
    DOI 10.1186/2050-6511-13-s1-a26
    Type Journal Article
    Author Puthenkalam R
    Journal BMC Pharmacology and Toxicology
    Link Publication
  • 2020
    Title Exploring the molecular determinants for subtype-selectivity of 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid analogs as betaine/GABA transporter 1 (BGT1) substrate-inhibitors
    DOI 10.1038/s41598-020-69908-w
    Type Journal Article
    Author Kickinger S
    Journal Scientific Reports
    Pages 12992
    Link Publication
  • 2020
    Title Application of Relay C-H Oxidation Logic to Polyhydroxylated Oleanane Triterpenoids
    DOI 10.1016/j.chempr.2020.04.007
    Type Journal Article
    Author Berger M
    Journal Chem
    Pages 1183-1189
  • 2020
    Title Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics
    DOI 10.1021/acs.jpclett.0c00527
    Type Journal Article
    Author Westermayr J
    Journal The Journal of Physical Chemistry Letters
    Pages 3828-3834
    Link Publication
  • 2020
    Title Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects
    DOI 10.1007/s11064-020-03017-y
    Type Journal Article
    Author Lie M
    Journal Neurochemical Research
    Pages 1551-1565
    Link Publication
  • 2020
    Title Neural networks and kernel ridge regression for excited states dynamics of CH2NH 2+: From single-state to multi-state representations and multi-property machine learning models
    DOI 10.1088/2632-2153/ab88d0
    Type Journal Article
    Author Westermayr J
    Journal Machine Learning: Science and Technology
    Pages 025009
    Link Publication
  • 2020
    Title Machine learning and excited-state molecular dynamics
    DOI 10.1088/2632-2153/ab9c3e
    Type Journal Article
    Author Westermayr J
    Journal Machine Learning: Science and Technology
    Pages 043001
    Link Publication
  • 2020
    Title Computational Insights Into Voltage Dependence of Polyamine Block in a Strong Inwardly Rectifying K+ Channel
    DOI 10.3389/fphar.2020.00721
    Type Journal Article
    Author Chen X
    Journal Frontiers in Pharmacology
    Pages 721
    Link Publication
  • 2020
    Title A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs
    DOI 10.1038/s41589-020-0483-3
    Type Journal Article
    Author Girardi E
    Journal Nature Chemical Biology
    Pages 469-478
    Link Publication
  • 2018
    Title Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein
    DOI 10.1016/j.ejps.2018.06.022
    Type Journal Article
    Author Jain S
    Journal European Journal of Pharmaceutical Sciences
    Pages 134-143
    Link Publication
  • 2018
    Title Calcium channel gating
    DOI 10.1007/s00424-018-2163-7
    Type Journal Article
    Author Hering S
    Journal Pflügers Archiv - European Journal of Physiology
    Pages 1291-1309
    Link Publication
  • 2018
    Title A kinetic account for amphetamine-induced monoamine release
    DOI 10.1085/jgp.201711915
    Type Journal Article
    Author Hasenhuetl P
    Journal Journal of General Physiology
    Pages 431-451
    Link Publication
  • 2018
    Title Dehydroevodiamine and hortiamine, alkaloids from the traditional Chinese herbal drug Evodia rutaecarpa, are IKr blockers with proarrhythmic effects in vitro and in vivo
    DOI 10.1016/j.phrs.2018.02.024
    Type Journal Article
    Author Baburin I
    Journal Pharmacological Research
    Pages 150-163
    Link Publication
  • 2018
    Title Design and Synthesis of Novel Deuterated Ligands Functionally Selective for the ?-Aminobutyric Acid Type A Receptor (GABAAR) a6 Subtype with Improved Metabolic Stability and Enhanced Bioavailability
    DOI 10.1021/acs.jmedchem.7b01664
    Type Journal Article
    Author Knutson D
    Journal Journal of Medicinal Chemistry
    Pages 2422-2446
    Link Publication
  • 2018
    Title Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity
    DOI 10.1007/s10822-018-0116-z
    Type Journal Article
    Author Jain S
    Journal Journal of Computer-Aided Molecular Design
    Pages 583-590
    Link Publication
  • 2018
    Title Haploinsufficiency of the intellectual disability gene SETD5 disturbs developmental gene expression and cognition
    DOI 10.1038/s41593-018-0266-2
    Type Journal Article
    Author Deliu E
    Journal Nature Neuroscience
    Pages 1717-1727
  • 2018
    Title Neuropharmacology of Synthetic Cathinones
    DOI 10.1007/164_2018_178
    Type Book Chapter
    Author Baumann M
    Publisher Springer Nature
    Pages 113-142
    Link Publication
  • 2018
    Title Cellular N-myristoyltransferases play a crucial picornavirus genus-specific role in viral assembly, virion maturation, and infectivity
    DOI 10.1371/journal.ppat.1007203
    Type Journal Article
    Author Ramljak I
    Journal PLOS Pathogens
    Link Publication
  • 2015
    Title Total Synthesis of an Exceptional Brominated 4-Pyrone Derivative of Algal Origin: An Exercise in Gold Catalysis and Alkyne Metathesis
    DOI 10.1002/chem.201500437
    Type Journal Article
    Author Hoffmeister L
    Journal Chemistry – A European Journal
    Pages 4529-4533
  • 2015
    Title Synthesis and in Silico Evaluation of Novel Compounds for PET-Based Investigations of the Norepinephrine Transporter
    DOI 10.3390/molecules20011712
    Type Journal Article
    Author Neudorfer C
    Journal Molecules
    Pages 1712-1730
    Link Publication
  • 2015
    Title A Binding Mode Hypothesis of Tiagabine Confirms Liothyronine Effect on ?-Aminobutyric Acid Transporter 1 (GAT1)
    DOI 10.1021/jm5015428
    Type Journal Article
    Author Jurik A
    Journal Journal of Medicinal Chemistry
    Pages 2149-2158
    Link Publication
  • 2015
    Title Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site
    DOI 10.1371/journal.pcbi.1004551
    Type Journal Article
    Author Venkatesan S
    Journal PLOS Computational Biology
    Link Publication
  • 2015
    Title Developing piperine towards TRPV1 and GABA A receptor ligands – synthesis of piperine analogs via Heck-coupling of conjugated dienes
    DOI 10.1039/c4ob02242d
    Type Journal Article
    Author Wimmer L
    Journal Organic & Biomolecular Chemistry
    Pages 990-994
  • 2015
    Title Nanopharmacological Force Sensing to Reveal Allosteric Coupling in Transporter Binding Sites
    DOI 10.1002/anie.201508755
    Type Journal Article
    Author Zhu R
    Journal Angewandte Chemie International Edition
    Pages 1719-1722
    Link Publication
  • 2015
    Title Structure activity relationship of selective GABA uptake inhibitors
    DOI 10.1016/j.bmc.2015.03.060
    Type Journal Article
    Author Vogensen S
    Journal Bioorganic & Medicinal Chemistry
    Pages 2480-2488
  • 2015
    Title Light-assisted small-molecule screening against protein kinases
    DOI 10.1038/nchembio.1933
    Type Journal Article
    Author Inglés-Prieto Á
    Journal Nature Chemical Biology
    Pages 952-954
    Link Publication
  • 2015
    Title Nitrogenated honokiol derivatives allosterically modulate GABAA receptors and act as strong partial agonists
    DOI 10.1016/j.bmc.2015.08.034
    Type Journal Article
    Author Bernaskova M
    Journal Bioorganic & Medicinal Chemistry
    Pages 6757-6762
  • 2015
    Title Amphetamine Action at the Cocaine- and Antidepressant-Sensitive Serotonin Transporter Is Modulated by aCaMKII
    DOI 10.1523/jneurosci.4034-14.2015
    Type Journal Article
    Author Steinkellner T
    Journal The Journal of Neuroscience
    Pages 8258-8271
    Link Publication
  • 2015
    Title Mechanism of Modification, by Lidocaine, of Fast and Slow Recovery from Inactivation of Voltage-Gated Na+ Channels
    DOI 10.1124/mol.115.099580
    Type Journal Article
    Author Gawali V
    Journal Molecular Pharmacology
    Pages 866-879
  • 2015
    Title Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis
    DOI 10.1111/bph.13329
    Type Journal Article
    Author Luger D
    Journal British Journal of Pharmacology
    Pages 5403-5413
    Link Publication
  • 2015
    Title Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin a Isoforms 3 and 7
    DOI 10.1016/j.str.2014.11.015
    Type Journal Article
    Author Pumroy R
    Journal Structure
    Pages 374-384
    Link Publication
  • 2015
    Title Flipping the Photoswitch: Ion Channels Under Light Control
    DOI 10.1007/978-1-4939-2845-3_6
    Type Book Chapter
    Author Mckenzie C
    Publisher Springer Nature
    Pages 101-117
  • 2011
    Title Timothy Mutation Disrupts the Link between Activation and Inactivation in CaV1.2 Protein*
    DOI 10.1074/jbc.m111.255273
    Type Journal Article
    Author Depil K
    Journal Journal of Biological Chemistry
    Pages 31557-31564
    Link Publication
  • 2011
    Title Insights into structure–activity relationship of GABAA receptor modulating coumarins and furanocoumarins
    DOI 10.1016/j.ejphar.2011.06.034
    Type Journal Article
    Author Singhuber J
    Journal European Journal of Pharmacology
    Pages 57-64
    Link Publication
  • 2011
    Title In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel
    DOI 10.1371/journal.pone.0028778
    Type Journal Article
    Author Knape K
    Journal PLoS ONE
    Link Publication
  • 2016
    Title Light at the End of the Protein: Crystal Structure of a C-Terminal Light-Sensing Domain
    DOI 10.1016/j.str.2016.01.002
    Type Journal Article
    Author Janovjak H
    Journal Structure
    Pages 213-215
    Link Publication
  • 2016
    Title Upward movement of IS4 and IIIS4 is a rate-limiting stage in Cav1.2 activation
    DOI 10.1007/s00424-016-1895-5
    Type Journal Article
    Author Beyl S
    Journal Pflügers Archiv - European Journal of Physiology
    Pages 1895-1907
    Link Publication
  • 2016
    Title hERG Channel Blocking Ipecac Alkaloids Identified by Combined In Silico – In Vitro Screening*
    DOI 10.1055/s-0042-105572
    Type Journal Article
    Author Kratz J
    Journal Planta Medica
    Pages 1009-1015
  • 2016
    Title Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids
    DOI 10.1085/jgp.201611616
    Type Journal Article
    Author Lee S
    Journal Journal of General Physiology
    Pages 227-237
    Link Publication
  • 2016
    Title Targeting the ?-Aminobutyric Acid A Receptor a4 Subunit in Airway Smooth Muscle to Alleviate Bronchoconstriction
    DOI 10.1165/rcmb.2015-0176oc
    Type Journal Article
    Author Yocum G
    Journal American journal of respiratory cell and molecular biology
    Pages 546-553
    Link Publication
  • 2016
    Title Development of GABAA Receptor Subtype-Selective Imidazobenzodiazepines as Novel Asthma Treatments
    DOI 10.1021/acs.molpharmaceut.6b00159
    Type Journal Article
    Author Forkuo G
    Journal Molecular Pharmaceutics
    Pages 2026-2038
    Link Publication
  • 2016
    Title Structural Studies of GABAA Receptor Binding Sites: Which Experimental Structure Tells us What?
    DOI 10.3389/fnmol.2016.00044
    Type Journal Article
    Author Puthenkalam R
    Journal Frontiers in Molecular Neuroscience
    Pages 44
    Link Publication
  • 2016
    Title Synthesis and antimicrobial evaluation of novel analogues of dehydroabietic acid prepared by CH-Activation
    DOI 10.1016/j.ejmech.2016.12.012
    Type Journal Article
    Author Berger M
    Journal European Journal of Medicinal Chemistry
    Pages 937-943
  • 2016
    Title Analysis of ß-Subunit-dependent GABAA Receptor Modulation and Behavioral Effects of Valerenic Acid Derivatives
    DOI 10.1124/jpet.116.232983
    Type Journal Article
    Author Khom S
    Journal The Journal of Pharmacology and Experimental Therapeutics
    Pages 580-590
    Link Publication
  • 2016
    Title Synthesis of tetrahydrofuran-based natural products and their carba analogs via stereoselective enzyme mediated Baeyer–Villiger oxidation
    DOI 10.1016/j.tet.2015.11.048
    Type Journal Article
    Author Rudroff F
    Journal Tetrahedron
    Pages 7212-7221
    Link Publication
  • 2016
    Title The Environment Shapes the Inner Vestibule of LeuT
    DOI 10.1371/journal.pcbi.1005197
    Type Journal Article
    Author Sohail A
    Journal PLOS Computational Biology
    Link Publication
  • 2014
    Title Accelerated Discovery of Novel Benzodiazepine Ligands by Experiment-Guided Virtual Screening
    DOI 10.1021/cb5001873
    Type Journal Article
    Author Middendorp S
    Journal ACS Chemical Biology
    Pages 1854-1859
  • 2014
    Title Exploring the Structure of the Voltage-gated Na+ Channel by an Engineered Drug Access Pathway to the Receptor Site for Local Anesthetics*
    DOI 10.1074/jbc.m113.541763
    Type Journal Article
    Author Lukacs P
    Journal Journal of Biological Chemistry
    Pages 21770-21781
    Link Publication
  • 2014
    Title Amphetamines, new psychoactive drugs and the monoamine transporter cycle
    DOI 10.1016/j.tips.2014.11.006
    Type Journal Article
    Author Sitte H
    Journal Trends in Pharmacological Sciences
    Pages 41-50
    Link Publication
  • 2014
    Title Structural Insights into Trapping and Dissociation of Small Molecules in K+ Channels
    DOI 10.1021/ci500353r
    Type Journal Article
    Author Linder T
    Journal Journal of Chemical Information and Modeling
    Pages 3218-3228
  • 2014
    Title In Vivo Amphetamine Action is Contingent on aCaMKII
    DOI 10.1038/npp.2014.124
    Type Journal Article
    Author Steinkellner T
    Journal Neuropsychopharmacology
    Pages 2681-2693
    Link Publication
  • 2014
    Title A Pentasymmetric Open Channel Blocker for Cys-Loop Receptor Channels
    DOI 10.1371/journal.pone.0106688
    Type Journal Article
    Author Carta V
    Journal PLoS ONE
    Link Publication
  • 2013
    Title Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate
    DOI 10.1073/pnas.1220552110
    Type Journal Article
    Author Buchmayer F
    Journal Proceedings of the National Academy of Sciences
    Pages 11642-11647
    Link Publication
  • 2013
    Title Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling
    DOI 10.1002/minf.201300013
    Type Journal Article
    Author Seddik A
    Journal Molecular Informatics
    Pages 409-413
    Link Publication
  • 2013
    Title Mechanism of hERG Channel Block by the Psychoactive Indole Alkaloid Ibogaine
    DOI 10.1124/jpet.113.209643
    Type Journal Article
    Author Thurner P
    Journal The Journal of Pharmacology and Experimental Therapeutics
    Pages 346-358
  • 2013
    Title Methods for quantification of pore–voltage sensor interaction in CaV1.2
    DOI 10.1007/s00424-013-1319-8
    Type Journal Article
    Author Beyl S
    Journal Pflügers Archiv - European Journal of Physiology
    Pages 265-274
    Link Publication
  • 2013
    Title Probing the Energy Landscape of Activation Gating of the Bacterial Potassium Channel KcsA
    DOI 10.1371/journal.pcbi.1003058
    Type Journal Article
    Author Linder T
    Journal PLoS Computational Biology
    Link Publication
  • 2013
    Title Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling
    DOI 10.1002/minf.201300020
    Type Journal Article
    Author Jurik A
    Journal Molecular Informatics
    Pages 415-419
    Link Publication
  • 2013
    Title Anti-addiction drug ibogaine inhibits voltage-gated ionic currents: A study to assess the drug's cardiac ion channel profile
    DOI 10.1016/j.taap.2013.05.012
    Type Journal Article
    Author Koenig X
    Journal Toxicology and Applied Pharmacology
    Pages 259-268
    Link Publication
  • 2020
    Title A Benzodiazepine Ligand with Improved GABAA Receptor a5-Subunit Selectivity Driven by Interactions with Loop C
    DOI 10.1124/molpharm.120.000067
    Type Journal Article
    Author Simeone X
    Journal Molecular Pharmacology
    Pages 39-48
    Link Publication
  • 2020
    Title Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space
    DOI 10.1063/5.0021915
    Type Journal Article
    Author Westermayr J
    Journal The Journal of Chemical Physics
    Pages 154112
    Link Publication
  • 2020
    Title Machine Learning for Electronically Excited States of Molecules
    DOI 10.1021/acs.chemrev.0c00749
    Type Journal Article
    Author Westermayr J
    Journal Chemical Reviews
    Pages 9873-9926
    Link Publication
  • 2020
    Title A silver-coated copper wire as inexpensive drug eluting stent model: determination of the relative releasing properties of leoligin and derivatives
    DOI 10.1007/s00706-020-02677-4
    Type Journal Article
    Author Czollner L
    Journal Monatshefte für Chemie - Chemical Monthly
    Pages 1317-1326
  • 2020
    Title Molecular mechanisms for targeted ASD treatments
    DOI 10.1016/j.gde.2020.06.004
    Type Journal Article
    Author Basilico B
    Journal Current Opinion in Genetics & Development
    Pages 126-137
    Link Publication
  • 2020
    Title SLC6 transporter oligomerization
    DOI 10.1111/jnc.15145
    Type Journal Article
    Author Jayaraman K
    Journal Journal of Neurochemistry
    Pages 919-929
    Link Publication
  • 2020
    Title Combining In Vivo Data with In Silico Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction
    DOI 10.1021/acs.chemrestox.0c00511
    Type Journal Article
    Author Jain S
    Journal Chemical Research in Toxicology
    Pages 656-668
    Link Publication
  • 2013
    Title Efficient and specific cardiac IK1 inhibition by a new pentamidine analogue
    DOI 10.1093/cvr/cvt103
    Type Journal Article
    Author Takanari H
    Journal Cardiovascular Research
    Pages 203-214
  • 2012
    Title The Mechanistic Basis for Noncompetitive Ibogaine Inhibition of Serotonin and Dopamine Transporters*
    DOI 10.1074/jbc.m112.343681
    Type Journal Article
    Author Bulling S
    Journal Journal of Biological Chemistry
    Pages 18524-18534
    Link Publication
  • 2012
    Title Ca2+/Calmodulin-dependent Protein Kinase IIa (aCaMKII) Controls the Activity of the Dopamine Transporter IMPLICATIONS FOR ANGELMAN SYNDROME*
    DOI 10.1074/jbc.m112.367219
    Type Journal Article
    Author Steinkellner T
    Journal Journal of Biological Chemistry
    Pages 29627-29635
    Link Publication
  • 2012
    Title Distinct interactions of Na+ and Ca2+ ions with the selectivity filter of the bacterial sodium channel NaVAb
    DOI 10.1016/j.bbrc.2012.12.055
    Type Journal Article
    Author Ke S
    Journal Biochemical and Biophysical Research Communications
    Pages 1272-1276
  • 2014
    Title Late cardiac sodium current can be assessed using automated patch-clamp
    DOI 10.12688/f1000research.5544.1
    Type Journal Article
    Author Chevalier M
    Journal F1000Research
    Pages 245
    Link Publication
  • 2014
    Title Esters of valerenic acid as potential prodrugs
    DOI 10.1016/j.ejphar.2014.03.019
    Type Journal Article
    Author Hintersteiner J
    Journal European Journal of Pharmacology
    Pages 123-131
    Link Publication
  • 2014
    Title Metal Catalyzed Cross-Coupling Reactions in the Decoration of Pyrimidine, Pyridazine, and Pyrazine
    DOI 10.1007/7081_2014_138
    Type Book Chapter
    Author Wimmer L
    Publisher Springer Nature
    Pages 61-157
  • 2014
    Title Identification of dihydrostilbenes in Pholidota chinensis as a new scaffold for GABAA receptor modulators
    DOI 10.1016/j.bmc.2014.01.008
    Type Journal Article
    Author Rueda D
    Journal Bioorganic & Medicinal Chemistry
    Pages 1276-1284
  • 2014
    Title Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABAA receptor ligands
    DOI 10.1016/j.bmcl.2014.10.091
    Type Journal Article
    Author Rycek L
    Journal Bioorganic & Medicinal Chemistry Letters
    Pages 400-403
    Link Publication
  • 2014
    Title Different Inward and Outward Conduction Mechanisms in NaVMs Suggested by Molecular Dynamics Simulations
    DOI 10.1371/journal.pcbi.1003746
    Type Journal Article
    Author Ke S
    Journal PLoS Computational Biology
    Link Publication
  • 2014
    Title Efficient Modulation of ?-Aminobutyric Acid Type A Receptors by Piperine Derivatives
    DOI 10.1021/jm5002277
    Type Journal Article
    Author Scho¨Ffmann A
    Journal Journal of Medicinal Chemistry
    Pages 5602-5619
    Link Publication
  • 2014
    Title Development of potential selective and reversible pyrazoline based MAO-B inhibitors as MAO-B PET tracer precursors and reference substances for the early detection of Alzheimer’s disease
    DOI 10.1016/j.bmcl.2014.07.085
    Type Journal Article
    Author Neudorfer C
    Journal Bioorganic & Medicinal Chemistry Letters
    Pages 4490-4495
  • 2014
    Title ‘Second-Generation’ Mephedrone Analogs, 4-MEC and 4-MePPP, Differentially Affect Monoamine Transporter Function
    DOI 10.1038/npp.2014.325
    Type Journal Article
    Author Saha K
    Journal Neuropsychopharmacology
    Pages 1321-1331
    Link Publication
  • 2014
    Title Axonal Targeting of the Serotonin Transporter in Cultured Rat Dorsal Raphe Neurons Is Specified by SEC24C-Dependent Export from the Endoplasmic Reticulum
    DOI 10.1523/jneurosci.2991-13.2014
    Type Journal Article
    Author Montgomery T
    Journal The Journal of Neuroscience
    Pages 6344-6351
    Link Publication
  • 2014
    Title Structure and Regulatory Interactions of the Cytoplasmic Terminal Domains of Serotonin Transporter
    DOI 10.1021/bi500637f
    Type Journal Article
    Author Fenollar-Ferrer C
    Journal Biochemistry
    Pages 5444-5460
    Link Publication
  • 2014
    Title Identification of dehydroabietc acid from Boswellia thurifera resin as a positive GABAA receptor modulator
    DOI 10.1016/j.fitote.2014.09.002
    Type Journal Article
    Author Rueda D
    Journal Fitoterapia
    Pages 28-34
  • 2014
    Title Natural Products as Potential Human Ether-A-Go-Go-Related Gene Channel Inhibitors – Screening of Plant-Derived Alkaloids
    DOI 10.1055/s-0034-1368590
    Type Journal Article
    Author Schramm A
    Journal Planta Medica
    Pages 740-746
  • 2014
    Title Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools
    DOI 10.1021/ci5001955
    Type Journal Article
    Author Kratz J
    Journal Journal of Chemical Information and Modeling
    Pages 2887-2901
  • 2014
    Title Exploiting open data: a new era in pharmacoinformatics
    DOI 10.4155/fmc.14.13
    Type Journal Article
    Author Goldmann D
    Journal Future medicinal chemistry
    Pages 503-514
  • 2020
    Title Chemoselective Alpha-Deuteration of Amides via Retro-ene Reaction
    DOI 10.1002/chem.202004103
    Type Journal Article
    Author Porte V
    Journal Chemistry – A European Journal
    Pages 15509-15512
    Link Publication
  • 2020
    Title The role of the degenerate nucleotide binding site in type I ABC exporters
    DOI 10.1002/1873-3468.13997
    Type Journal Article
    Author Stockner T
    Journal FEBS Letters
    Pages 3815-3838
    Link Publication
  • 2020
    Title Allosteric Modulation of Neurotransmitter Transporters as a Therapeutic Strategy
    DOI 10.1016/j.tips.2020.04.006
    Type Journal Article
    Author Niello M
    Journal Trends in Pharmacological Sciences
    Pages 446-463
    Link Publication
  • 2020
    Title Oral batyl alcohol supplementation rescues decreased cardiac conduction in ether phospholipid-deficient mice
    DOI 10.1002/jimd.12264
    Type Journal Article
    Author Todt H
    Journal Journal of Inherited Metabolic Disease
    Pages 1046-1055
    Link Publication
  • 2018
    Title C-H Activation Enables a Concise Total Synthesis of Quinine and Analogues with Enhanced Antimalarial Activity
    DOI 10.1002/anie.201804551
    Type Journal Article
    Author Donovan D
    Journal Angewandte Chemie International Edition
    Pages 10737-10741
    Link Publication
  • 2018
    Title C-H-Aktivierung ermöglicht eine kurze Totalsynthese von Chinin und Analoga mit erhöhter Anti-Malaria-Aktivität
    DOI 10.1002/ange.201804551
    Type Journal Article
    Author Donovan D
    Journal Angewandte Chemie
    Pages 10897-10901
    Link Publication
  • 2018
    Title Different Benzodiazepines Bind with Distinct Binding Modes to GABAA Receptors
    DOI 10.1021/acschembio.8b00144
    Type Journal Article
    Author Elgarf A
    Journal ACS Chemical Biology
    Pages 2033-2039
    Link Publication
  • 2018
    Title Dopamine transporter oligomerization involves the scaffold domain, but spares the bundle domain
    DOI 10.1371/journal.pcbi.1006229
    Type Journal Article
    Author Jayaraman K
    Journal PLOS Computational Biology
    Link Publication
  • 2018
    Title The psychostimulant (±)-cis-4,4'-dimethylaminorex (4,4'-DMAR) interacts with human plasmalemmal and vesicular monoamine transporters
    DOI 10.1016/j.neuropharm.2018.06.018
    Type Journal Article
    Author Maier J
    Journal Neuropharmacology
    Pages 282-291
    Link Publication
  • 2018
    Title An unsuspected role for organic cation transporter 3 in the actions of amphetamine
    DOI 10.1038/s41386-018-0053-5
    Type Journal Article
    Author Mayer F
    Journal Neuropsychopharmacology
    Pages 2408-2417
    Link Publication
  • 2018
    Title Optical functionalization of human Class A orphan G-protein-coupled receptors
    DOI 10.1038/s41467-018-04342-1
    Type Journal Article
    Author Morri M
    Journal Nature Communications
    Pages 1950
    Link Publication
  • 2018
    Title Stereoselective Synthesis of the Isomers of Notoincisol A: Assigment of the Absolute Configuration of this Natural Product and Biological Evaluation
    DOI 10.1021/acs.jnatprod.8b00439
    Type Journal Article
    Author Rycek L
    Journal Journal of Natural Products
    Pages 2419-2428
    Link Publication
  • 2018
    Title Comparative analysis of novel decynium-22 analogs to inhibit transport by the low-affinity, high-capacity monoamine transporters, organic cation transporters 2 and 3, and plasma membrane monoamine transporter
    DOI 10.1016/j.ejphar.2018.10.028
    Type Journal Article
    Author Fraser-Spears R
    Journal European Journal of Pharmacology
    Pages 351-364
    Link Publication
  • 2018
    Title The synthetic cathinones, butylone and pentylone, are stimulants that act as dopamine transporter blockers but 5-HT transporter substrates
    DOI 10.1007/s00213-018-5075-5
    Type Journal Article
    Author Saha K
    Journal Psychopharmacology
    Pages 953-962
    Link Publication
  • 2018
    Title “Polytox” synthetic cathinone abuse: A potential role for organic cation transporter 3 in combined cathinone-induced efflux
    DOI 10.1016/j.neuint.2018.09.008
    Type Journal Article
    Author Mayer F
    Journal Neurochemistry International
    Pages 7-12
    Link Publication
  • 2018
    Title Magnolol dimer-derived fragments as PPAR?-selective probes
    DOI 10.1039/c8ob01745j
    Type Journal Article
    Author Dreier D
    Journal Organic & Biomolecular Chemistry
    Pages 7019-7028
    Link Publication
  • 2018
    Title DARK Classics in Chemical Neuroscience: Aminorex Analogues
    DOI 10.1021/acschemneuro.8b00415
    Type Journal Article
    Author Maier J
    Journal ACS Chemical Neuroscience
    Pages 2484-2502
    Link Publication
  • 2018
    Title Design, Synthesis, and Pharmacological Evaluation of Novel ß2/3 Subunit-Selective ?-Aminobutyric Acid Type A (GABAA) Receptor Modulators
    DOI 10.1021/acs.jmedchem.8b00859
    Type Journal Article
    Author Stadler M
    Journal Journal of Medicinal Chemistry
    Pages 317-341
  • 2018
    Title SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the a1+/?2– Benzodiazepine Site
    DOI 10.1021/acs.jcim.8b00199
    Type Journal Article
    Author Siebert D
    Journal Journal of Chemical Information and Modeling
    Pages 1682-1696
  • 2018
    Title Impaired neural stem cell expansion and hypersensitivity to epileptic seizures in mice lacking the EGFR in the brain
    DOI 10.1111/febs.14603
    Type Journal Article
    Author Robson J
    Journal The FEBS Journal
    Pages 3175-3196
    Link Publication
  • 2018
    Title Engineered Flumazenil Recognition Site Provides Mechanistic Insight Governing Benzodiazepine Modulation in GABAA Receptors
    DOI 10.1021/acschembio.8b00145
    Type Journal Article
    Author Siebert D
    Journal ACS Chemical Biology
    Pages 2040-2047
  • 2018
    Title Diversity matters: combinatorial information coding by GABAA receptor subunits during spatial learning and its allosteric modulation
    DOI 10.1016/j.cellsig.2018.07.003
    Type Journal Article
    Author Szodorai E
    Journal Cellular Signalling
    Pages 142-159
  • 2018
    Title Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond
    DOI 10.1007/7653_2018_13
    Type Book Chapter
    Author Kickinger S
    Publisher Springer Nature
    Pages 405-417
  • 2018
    Title Genomics in neurodevelopmental disorders: an avenue to personalized medicine
    DOI 10.1038/s12276-018-0129-7
    Type Journal Article
    Author Tarlungeanu D
    Journal Experimental & Molecular Medicine
    Pages 1-7
    Link Publication
  • 2018
    Title Isolation of synaptic vesicles from genetically engineered cultured neurons
    DOI 10.1016/j.jneumeth.2018.11.018
    Type Journal Article
    Author Mckenzie C
    Journal Journal of Neuroscience Methods
    Pages 114-121
  • 2018
    Title Expeditious synthesis of polyacetylenic water hemlock toxins and their effects on the major GABA A receptor isoform
    DOI 10.1039/c7cc09801d
    Type Journal Article
    Author Berger M
    Journal Chemical Communications
    Pages 2008-2011
    Link Publication
  • 2018
    Title Molecular Insights into hERG Potassium Channel Blockade by Lubeluzole
    DOI 10.1159/000488169
    Type Journal Article
    Author Gualdani R
    Journal Cellular Physiology and Biochemistry
    Pages 2233-2245
    Link Publication
  • 2018
    Title Distinct modulation of inactivation by a residue in the pore domain of voltage-gated Na+ channels: mechanistic insights from recent crystal structures
    DOI 10.1038/s41598-017-18919-1
    Type Journal Article
    Author Cervenka R
    Journal Scientific Reports
    Pages 631
    Link Publication
  • 2018
    Title An Unsuspected Role for Organic Cation Transporter 3 in the Actions of Amphetamine
    DOI 10.1096/fasebj.2018.32.1_supplement.820.8
    Type Journal Article
    Author Mayer F
    Journal The FASEB Journal
    Pages 820.8-820.8
    Link Publication
  • 2017
    Title Grünlicht-induzierte Rezeptorinaktivierung durch Cobalamin-bindende Domänen
    DOI 10.1002/ange.201611998
    Type Journal Article
    Author Kainrath S
    Journal Angewandte Chemie
    Pages 4679-4682
    Link Publication
  • 2017
    Title Green-Light-Induced Inactivation of Receptor Signaling Using Cobalamin-Binding Domains
    DOI 10.1002/anie.201611998
    Type Journal Article
    Author Kainrath S
    Journal Angewandte Chemie International Edition
    Pages 4608-4611
    Link Publication
  • 2017
    Title HPLC-Based Activity Profiling for GABAA Receptor Modulators in Searsia pyroides Using a Larval Zebrafish Locomotor Assay*
    DOI 10.1055/s-0043-110768
    Type Journal Article
    Author Moradi-Afrapoli F
    Journal Planta Medica
    Pages 1169-1175
  • 2017
    Title (Z)-4,6-Di­chloro-N-(4-chloro­phen­yl)quinoline-3-carbimidoyl chloride
    DOI 10.1107/s2414314617002747
    Type Journal Article
    Author Weil M
    Journal IUCrData
    Link Publication
  • 2017
    Title Direct Functionalization of C-H Bonds by Iron, Nickel, and Cobalt Catalysis
    DOI 10.1002/chem.201605657
    Type Journal Article
    Author Pototschnig G
    Journal Chemistry – A European Journal
    Pages 9206-9232
  • 2017
    Title Optogenetic methods in drug screening: technologies and applications
    DOI 10.1016/j.copbio.2017.02.006
    Type Journal Article
    Author Agus V
    Journal Current Opinion in Biotechnology
    Pages 8-14
  • 2017
    Title Direct PIP2 binding mediates stable oligomer formation of the serotonin transporter
    DOI 10.1038/ncomms14089
    Type Journal Article
    Author Anderluh A
    Journal Nature Communications
    Pages 14089
    Link Publication
  • 2017
    Title Dynamics of the EAG1 K+ channel selectivity filter assessed by molecular dynamics simulations
    DOI 10.1016/j.bbrc.2017.01.064
    Type Journal Article
    Author Bernsteiner H
    Journal Biochemical and Biophysical Research Communications
    Pages 107-112
    Link Publication
  • 2017
    Title Second International Electronic Conference on Medicinal Chemistry (ECMC-2)
    DOI 10.3390/ph10010020
    Type Journal Article
    Author Mayence A
    Journal Pharmaceuticals
    Pages 20
    Link Publication
  • 2017
    Title Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP
    DOI 10.1007/s10822-017-0021-x
    Type Journal Article
    Author Jain S
    Journal Journal of Computer-Aided Molecular Design
    Pages 507-521
    Link Publication
  • 2017
    Title GABAA receptor activity modulating piperine analogs: In vitro metabolic stability, metabolite identification, CYP450 reaction phenotyping, and protein binding
    DOI 10.1016/j.jchromb.2017.11.036
    Type Journal Article
    Author Zabela V
    Journal Journal of Chromatography B
    Pages 379-389
    Link Publication
  • 2016
    Title Impaired Amino Acid Transport at the Blood Brain Barrier Is a Cause of Autism Spectrum Disorder
    DOI 10.1016/j.cell.2016.11.013
    Type Journal Article
    Author Tarlungeanu D
    Journal Cell
    Link Publication
  • 2016
    Title Tracer Flux Measurements to Study Outward Transport by Monoamine Neurotransmitter Transporters
    DOI 10.1007/978-1-4939-3765-3_2
    Type Book Chapter
    Author Steinkellner T
    Publisher Springer Nature
    Pages 23-40
  • 2016
    Title Are reprogrammed cells a useful tool for studying dopamine dysfunction in psychotic disorders? A review of the current evidence
    DOI 10.1111/ejn.13418
    Type Journal Article
    Author Sauerzopf U
    Journal European Journal of Neuroscience
    Pages 45-57
    Link Publication
  • 2016
    Title From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter
    DOI 10.1039/c6md00207b
    Type Journal Article
    Author Zdrazil B
    Journal MedChemComm
    Pages 1819-1831
    Link Publication
  • 2016
    Title Drug trapping in hERG K + channels: (not) a matter of drug size?
    DOI 10.1039/c5md00443h
    Type Journal Article
    Author Linder T
    Journal MedChemComm
    Pages 512-518
    Link Publication
  • 2016
    Title Application of a Combined Approach to Identify New Psychoactive Street Drugs and Decipher Their Mechanisms at Monoamine Transporters
    DOI 10.1007/7854_2016_63
    Type Book Chapter
    Author Mayer F
    Publisher Springer Nature
    Pages 333-350
  • 2016
    Title Phase I metabolites of mephedrone display biological activity as substrates at monoamine transporters
    DOI 10.1111/bph.13547
    Type Journal Article
    Author Mayer F
    Journal British Journal of Pharmacology
    Pages 2657-2668
    Link Publication
  • 2016
    Title New potential binding determinant for hERG channel inhibitors
    DOI 10.1038/srep24182
    Type Journal Article
    Author Saxena P
    Journal Scientific Reports
    Pages 24182
    Link Publication
  • 2016
    Title Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter
    DOI 10.1002/minf.201600094
    Type Journal Article
    Author Seddik A
    Journal Molecular Informatics
  • 2016
    Title Eine Phytochrom-Sensordomäne ermöglicht eine Rezeptoraktivierung durch rotes Licht
    DOI 10.1002/ange.201601736
    Type Journal Article
    Author Reichhart E
    Journal Angewandte Chemie
    Pages 6447-6450
  • 2016
    Title In vitro blood–brain barrier permeability predictions for GABAA receptor modulating piperine analogs
    DOI 10.1016/j.ejpb.2016.03.029
    Type Journal Article
    Author Eigenmann D
    Journal European Journal of Pharmaceutics and Biopharmaceutics
    Pages 118-126
    Link Publication
  • 2016
    Title Experimental Data Guided Docking of Small Molecules into Homology Models of Neurotransmitter Transporters
    DOI 10.1007/978-1-4939-3765-3_5
    Type Book Chapter
    Author Jurik A
    Publisher Springer Nature
    Pages 83-89
  • 2016
    Title Empowering pharmacoinformatics by linked life science data
    DOI 10.1007/s10822-016-9990-4
    Type Journal Article
    Author Goldmann D
    Journal Journal of Computer-Aided Molecular Design
    Pages 319-328
    Link Publication
  • 2016
    Title A Phytochrome Sensory Domain Permits Receptor Activation by Red Light
    DOI 10.1002/anie.201601736
    Type Journal Article
    Author Reichhart E
    Journal Angewandte Chemie International Edition
    Pages 6339-6342
  • 2016
    Title Bridging C-H Activation: Mild and Versatile Cleavage of the 8-Aminoquinoline Directing Group
    DOI 10.1002/chem.201604344
    Type Journal Article
    Author Berger M
    Journal Chemistry – A European Journal
    Pages 16805-16808
  • 2013
    Title Enhanced currents through L-type calcium channels in cardiomyocytes disturb the electrophysiology of the dystrophic heart
    DOI 10.1152/ajpheart.00441.2013
    Type Journal Article
    Author Koenig X
    Journal American Journal of Physiology-Heart and Circulatory Physiology
    Link Publication
  • 2013
    Title Evidence for a Role of Transporter-Mediated Currents in the Depletion of Brain Serotonin Induced by Serotonin Transporter Substrates
    DOI 10.1038/npp.2013.331
    Type Journal Article
    Author Baumann M
    Journal Neuropsychopharmacology
    Pages 1355-1365
    Link Publication
  • 2013
    Title Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters
    DOI 10.1016/j.neuint.2013.11.010
    Type Journal Article
    Author Hofmaier T
    Journal Neurochemistry International
    Pages 32-41
    Link Publication
  • 2013
    Title GABAA receptor modulation by piperine and a non-TRPV1 activating derivative
    DOI 10.1016/j.bcp.2013.04.017
    Type Journal Article
    Author Khom S
    Journal Biochemical Pharmacology
    Pages 1827-1836
    Link Publication
  • 2013
    Title Identification of novel positive allosteric modulators and null modulators at the GABAA receptor a+ß- interface
    DOI 10.1111/bph.12151
    Type Journal Article
    Author Varagic Z
    Journal British Journal of Pharmacology
    Pages 371-383
    Link Publication
  • 2013
    Title Structure-activity relationships of pentamidine-affected ion channel trafficking and dofetilide mediated rescue
    DOI 10.1111/bph.12208
    Type Journal Article
    Author Varkevisser R
    Journal British Journal of Pharmacology
    Pages 1322-1334
    Link Publication
  • 2013
    Title How Far Could We Go with Open Data – A Case Study for TRPV1 Antagonists
    DOI 10.1002/minf.201300019
    Type Journal Article
    Author Tsareva D
    Journal Molecular Informatics
    Pages 555-562
    Link Publication
  • 2013
    Title Unexpected Properties of d-Containing GABAA Receptors in Response to Ligands Interacting with the a+ ß- Site
    DOI 10.1007/s11064-013-1156-3
    Type Journal Article
    Author Mirheydari P
    Journal Neurochemical Research
    Pages 1057-1067
    Link Publication
  • 2019
    Title Computational identification of novel Kir6 channel inhibitors
    DOI 10.1101/539460
    Type Preprint
    Author Chen X
    Pages 539460
    Link Publication
  • 2019
    Title A structural model of the human serotonin transporter in an outward-occluded state
    DOI 10.1371/journal.pone.0217377
    Type Journal Article
    Author Hellsberg E
    Journal PLOS ONE
    Link Publication
  • 2019
    Title Variations on a scaffold - Novel GABAA receptor modulators
    DOI 10.1016/j.ejmech.2019.07.008
    Type Journal Article
    Author Iorio M
    Journal European Journal of Medicinal Chemistry
    Pages 340-349
    Link Publication
  • 2019
    Title Structural and molecular aspects of betaine-GABA transporter 1 (BGT1) and its relation to brain function
    DOI 10.1016/j.neuropharm.2019.05.021
    Type Journal Article
    Author Kickinger S
    Journal Neuropharmacology
    Pages 107644
  • 2019
    Title A Domino 10-Step Total Synthesis of FR252921 and Its Analogues, Complex Macrocyclic Immunosuppressants
    DOI 10.1021/jacs.9b07185
    Type Journal Article
    Author Chen Y
    Journal Journal of the American Chemical Society
    Pages 13772-13777
    Link Publication
  • 2019
    Title Modeling GIRK channel conductance
    DOI 10.1085/jgp.201912479
    Type Journal Article
    Author Short B
    Journal Journal of General Physiology
    Pages 1159-1159
    Link Publication
  • 2019
    Title Conduction through a narrow inward-rectifier K+ channel pore
    DOI 10.1085/jgp.201912359
    Type Journal Article
    Author Bernsteiner H
    Journal Journal of General Physiology
    Pages 1231-1246
    Link Publication
  • 2019
    Title Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies
    DOI 10.1021/acs.jnatprod.8b00884
    Type Journal Article
    Author Hamulic´ D
    Journal Journal of Natural Products
    Pages 823-831
    Link Publication
  • 2019
    Title In Silico Approaches to Predict Drug-Transporter Interaction Profiles: Data Mining, Model Generation, and Link to Cholestasis
    DOI 10.1007/978-1-4939-9420-5_26
    Type Book Chapter
    Author Jain S
    Publisher Springer Nature
    Pages 383-396
  • 2019
    Title para-Trifluoromethyl-methcathinone is an allosteric modulator of the serotonin transporter
    DOI 10.1016/j.neuropharm.2019.04.021
    Type Journal Article
    Author Niello M
    Journal Neuropharmacology
    Pages 107615
  • 2019
    Title Stereochemistry of phase-1 metabolites of mephedrone determines their effectiveness as releasers at the serotonin transporter
    DOI 10.1016/j.neuropharm.2018.12.032
    Type Journal Article
    Author Mayer F
    Journal Neuropharmacology
    Pages 199-209
    Link Publication
  • 2019
    Title Atomistic basis of opening and conduction in mammalian inward rectifier potassium (Kir2.2) channels
    DOI 10.1085/jgp.201912422
    Type Journal Article
    Author Zangerl-Plessl E
    Journal Journal of General Physiology
    Link Publication
  • 2019
    Title Toward a Structural View of hERG Activation by the Small-Molecule Activator ICA-105574
    DOI 10.1021/acs.jcim.9b00737
    Type Journal Article
    Author Zangerl-Plessl E
    Journal Journal of Chemical Information and Modeling
    Pages 360-371
  • 2019
    Title Machine learning enables long time scale molecular photodynamics simulations
    DOI 10.1039/c9sc01742a
    Type Journal Article
    Author Westermayr J
    Journal Chemical Science
    Pages 8100-8107
    Link Publication
  • 2019
    Title The Amino Terminus of LeuT Changes Conformation in an Environment Sensitive Manner
    DOI 10.1007/s11064-019-02928-9
    Type Journal Article
    Author Khan J
    Journal Neurochemical Research
    Pages 1387-1398
    Link Publication
  • 2019
    Title Computational Identification of Novel Kir6 Channel Inhibitors
    DOI 10.3389/fphar.2019.00549
    Type Journal Article
    Author Chen X
    Journal Frontiers in Pharmacology
    Pages 549
    Link Publication
  • 2019
    Title a-Arylation of Carbonyl Compounds through Oxidative C-C Bond Activation
    DOI 10.1002/anie.201904899
    Type Journal Article
    Author Li J
    Journal Angewandte Chemie International Edition
    Pages 9816-9819
    Link Publication
  • 2019
    Title Glibenclamide and HMR1098 normalize Cantú syndrome-associated gain-of-function currents
    DOI 10.1111/jcmm.14329
    Type Journal Article
    Author Houtman M
    Journal Journal of Cellular and Molecular Medicine
    Pages 4962-4969
    Link Publication
  • 2019
    Title Defined concatenated a6a1ß3?2 GABAA receptor constructs reveal dual action of pyrazoloquinolinone allosteric modulators
    DOI 10.1016/j.bmc.2019.06.006
    Type Journal Article
    Author Simeone X
    Journal Bioorganic & Medicinal Chemistry
    Pages 3167-3178
  • 2019
    Title Atomistic basis of opening and conduction in mammalian inward rectifier potassium (Kir2.2) channels
    DOI 10.1101/642090
    Type Preprint
    Author Zangerl-Plessl E
    Pages 642090
    Link Publication
  • 2016
    Title Divergent ynamide reactivity in the presence of azides – an experimental and computational study
    DOI 10.1039/c6sc01945e
    Type Journal Article
    Author Tona V
    Journal Chemical Science
    Pages 6032-6040
    Link Publication
  • 2016
    Title High-rate deposition of silicon films in a magnetron discharge with liquid target
    DOI 10.1088/1742-6596/768/1/012015
    Type Journal Article
    Author Tumarkin A
    Journal Journal of Physics: Conference Series
    Pages 012015
    Link Publication

Discovering
what
matters.

Newsletter

FWF-Newsletter Press-Newsletter Calendar-Newsletter Job-Newsletter scilog-Newsletter

Contact

Austrian Science Fund (FWF)
Georg-Coch-Platz 2
(Entrance Wiesingerstraße 4)
1010 Vienna

office(at)fwf.ac.at
+43 1 505 67 40

General information

  • Job Openings
  • Jobs at FWF
  • Press
  • Philanthropy
  • scilog
  • FWF Office
  • Social Media Directory
  • LinkedIn, external URL, opens in a new window
  • , external URL, opens in a new window
  • Facebook, external URL, opens in a new window
  • Instagram, external URL, opens in a new window
  • YouTube, external URL, opens in a new window
  • Cookies
  • Whistleblowing/Complaints Management
  • Accessibility Statement
  • Data Protection
  • Acknowledgements
  • IFG-Form
  • Social Media Directory
  • © Österreichischer Wissenschaftsfonds FWF
© Österreichischer Wissenschaftsfonds FWF