Works matching AU Ecker, Gerhard F.
Results: 76
Characterization of a novel class of antimalarials and its applicability to plasmodial target identification.
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- Wiener Klinische Wochenschrift, 2007, v. 119, p. 83, doi. 10.1007/s00508-007-0864-6
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- Publication type:
- Article
A structural model of the human serotonin transporter in an outward-occluded state.
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- PLoS ONE, 2019, v. 14, n. 6, p. 1, doi. 10.1371/journal.pone.0217377
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- Article
Intramolecular Distribution of Hydrophobicity Influences Pharmacological Activity of Propafenone-type MDR Modulators.
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- Archiv der Pharmazie, 2004, v. 337, n. 6, p. 328, doi. 10.1002/ardp.200300862
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- Article
Synthesis and Multidrug-Resistance Modulating Activity of a Series of Thienothiazines.
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- Archiv der Pharmazie, 2002, v. 335, n. 5, p. 223, doi. 10.1002/1521-4184(200205)335:5<223::AID-ARDP223>3.0.CO;2-D
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- Article
Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-63189-z
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- Article
Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1).
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-51455-8
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- Article
The macrocycle inhibitor landscape of SLC‐transporter.
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- Molecular Informatics, 2024, v. 43, n. 5, p. 1, doi. 10.1002/minf.202300287
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- Article
Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter.
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- Molecular Informatics, 2017, v. 36, n. 5/6, p. n/a, doi. 10.1002/minf.201600094
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- Article
Molecular Informatics: From Models to Systems and Beyond.
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- 2016
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- Editorial
Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project.
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- Molecular Informatics, 2015, v. 34, n. 6/7, p. 477, doi. 10.1002/minf.201400193
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- Article
BCRP Inhibition: from Data Collection to Ligand-Based Modeling.
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- Molecular Informatics, 2014, v. 33, n. 5, p. 322, doi. 10.1002/minf.201400012
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- Article
Molecular Informatics Going 'Fully Online'.
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- Molecular Informatics, 2014, v. 33, n. 1, p. 2, doi. 10.1002/minf.201480131
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- Article
How Far Could We Go with Open Data - A Case Study for TRPV1 Antagonists.
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- Molecular Informatics, 2013, v. 32, n. 5/6, p. 555, doi. 10.1002/minf.201300019
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- Publication type:
- Article
Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling.
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- Molecular Informatics, 2013, v. 32, n. 5/6, p. 415, doi. 10.1002/minf.201300020
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- Article
Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling.
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- Molecular Informatics, 2013, v. 32, n. 5/6, p. 409, doi. 10.1002/minf.201300013
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- Article
Editorial: Sustained Success of Molecular Informatics.
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- Molecular Informatics, 2013, v. 32, n. 1, p. 3, doi. 10.1002/minf.201380132
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- Article
Open Innovation in Drug Discovery.
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- Molecular Informatics, 2012, v. 31, n. 8, p. 519, doi. 10.1002/minf.201280004
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- Article
An In Silico Classification Model for Putative ABCC2 Substrates.
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- Molecular Informatics, 2012, v. 31, n. 8, p. 547, doi. 10.1002/minf.201200049
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- Article
Annotating Human P-Glycoprotein Bioassay Data.
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- Molecular Informatics, 2012, v. 31, n. 8, p. 599, doi. 10.1002/minf.201200059
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- Article
Taking Open Innovation to the Molecular Level - Strengths and Limitations.
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- Molecular Informatics, 2012, v. 31, n. 8, p. 528, doi. 10.1002/minf.201200014
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- Article
Self-Organizing Maps for In Silico Screening and Data Visualization.
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- Molecular Informatics, 2011, v. 30, n. 10, p. 838, doi. 10.1002/minf.201100082
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- Article
Impact of the Recent Mouse P-Glycoprotein Structure for Structure-Based Ligand Design.
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- Molecular Informatics, 2010, v. 29, n. 4, p. 276, doi. 10.1002/minf.201000017
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- Article
Ensemble Rule-Based Classification of Substrates of the Human ABC-Transporter ABCB1 Using Simple Physicochemical Descriptors.
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- Molecular Informatics, 2010, v. 29, n. 3, p. 233, doi. 10.1002/minf.200900079
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- Article
Molecular Informatics - From Models to Molecules and Systems.
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- Molecular Informatics, 2010, v. 29, n. 1/2, p. 9, doi. 10.1002/minf.201000271
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- Publication type:
- Article
Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning.
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- Journal of Cheminformatics, 2016, v. 8, n. 1, p. 1, doi. 10.1186/s13321-016-0121-y
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- Publication type:
- Article
Pairwise structural comparison of tiagabine analogs gives new insights into their protein binding modes.
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- 2013
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- Publication type:
- Conference Paper/Materials
Insights into binding events of GABA- and Tiagabine- analogues in the Gamma- Aminobutyric Acid Transporter 1 by means of Molecular Modelling.
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- 2012
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- Publication type:
- Abstract
A computational model for predicting the transport of compounds by ABCC2.
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- 2012
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- Publication type:
- Abstract
Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects.
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- Neurochemical Research, 2020, v. 45, n. 7, p. 1551, doi. 10.1007/s11064-020-03017-y
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- Publication type:
- Article
Inhibition of Neural Crest Cell Migration by Strobilurin Fungicides and Other Mitochondrial Toxicants.
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- Cells (2073-4409), 2024, v. 13, n. 24, p. 2057, doi. 10.3390/cells13242057
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- Article
Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 583, doi. 10.1007/s10822-018-0116-z
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- Publication type:
- Article
Acute effects of the imidacloprid metabolite desnitro-imidacloprid on human nACh receptors relevant for neuronal signaling.
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- Archives of Toxicology, 2021, v. 95, n. 12, p. 3695, doi. 10.1007/s00204-021-03168-z
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- Article
Functional alterations by a subgroup of neonicotinoid pesticides in human dopaminergic neurons.
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- Archives of Toxicology, 2021, v. 95, n. 6, p. 2081, doi. 10.1007/s00204-021-03031-1
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- Article
Development of new K<sub>ir</sub>2.1 channel openers from propafenone analogues.
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- British Journal of Pharmacology, 2025, v. 182, n. 3, p. 633, doi. 10.1111/bph.17377
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- Article
Predicting Ligand Interactions with ABC Transporters in ADME.
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- Chemistry & Biodiversity, 2009, v. 6, n. 11, p. 1960, doi. 10.1002/cbdv.200900138
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- Publication type:
- Article
The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research.
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- PLoS ONE, 2014, v. 9, n. 12, p. 1, doi. 10.1371/journal.pone.0115460
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- Publication type:
- Article
New Approach Methods (NAMs) Supporting Read-Across: Two Neurotoxicity AOP-based IATA Case Studies.
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- Altex, 2021, v. 38, n. 4, p. 615, doi. 10.14573/altex.2103051
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- Publication type:
- Article
Molecular analysis of the site for 2-arachidonylglycerol (2- AG) on the β<sub>2</sub> subunit of GABA<sub>A</sub> receptors.
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- Journal of Neurochemistry, 2013, v. 126, n. 1, p. 29, doi. 10.1111/jnc.12270
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- Publication type:
- Article
Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site.
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- PLoS Computational Biology, 2015, v. 11, n. 10, p. 1, doi. 10.1371/journal.pcbi.1004551
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- Publication type:
- Article
Mutational Analysis of the High-Affinity Zinc Binding Site Validates a Refined Human Dopamine Transporter Homology Model.
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- PLoS Computational Biology, 2013, v. 9, n. 2, p. 1, doi. 10.1371/journal.pcbi.1002909
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- Publication type:
- Article
Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein.
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- PLoS Computational Biology, 2011, v. 7, n. 5, p. 1, doi. 10.1371/journal.pcbi.1002036
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- Publication type:
- Article
How to Solve the Problems of Docking into a Symmetric Binding Site: The Example of the hERG Channel.
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- Scientia Pharmaceutica, 2013, v. 8, n. 3, p. 677, doi. 10.3797/scipharm.1307-01
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- Publication type:
- Article
How to Solve the Problems of Docking into a Symmetric Binding Site: The Example of the hERG Channel.
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- Scientia Pharmaceutica, 2013, v. 81, n. 3, p. 677, doi. 10.3797/scipharm.1307-01
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- Publication type:
- Article
Classification Models for hERG Inhibitors by Counter-Propagation Neural Networks.
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- Chemical Biology & Drug Design, 2008, v. 72, n. 4, p. 279, doi. 10.1111/j.1747-0285.2008.00705.x
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- Publication type:
- Article
'Second-Generation' Mephedrone Analogs, 4-MEC and 4-MePPP, Differentially Affect Monoamine Transporter Function.
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- Neuropsychopharmacology, 2015, v. 40, n. 6, p. 1321, doi. 10.1038/npp.2014.325
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- Publication type:
- Article
In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 4, p. 1, doi. 10.1002/wcms.1475
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- Article
COVER: conformational oversampling as data augmentation for molecules.
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- Journal of Cheminformatics, 2020, v. 12, n. 1, p. 1, doi. 10.1186/s13321-020-00420-z
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- Publication type:
- Article
Subtle Structural Differences Trigger Inhibitory Activity of Propafenone Analogues at the Two Polyspecific ABC Transporters: P-Glycoprotein (P-gp) and Breast Cancer Resistance Protein (BCRP).
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- ChemMedChem, 2016, v. 11, n. 12, p. 1380, doi. 10.1002/cmdc.201500592
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- Publication type:
- Article
Multispecificity of Drug Transporters: Probing Inhibitor Selectivity for the Human Drug Efflux Transporters ABCB1 and ABCG2.
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- ChemMedChem, 2007, v. 2, n. 12, p. 1783, doi. 10.1002/cmdc.200700160
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- Publication type:
- Article
Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 17, p. 13170, doi. 10.3390/ijms241713170
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- Publication type:
- Article