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Head of Group
Director of Corporate Program
His main research interests are ligand- and structure-based drug design with focus on transmembrane transport proteins, prediction of on- and off-kinetics, as well as semantic data integration.
Publications
Showing entries 181 - 185 out of 312
Richter, L, Ernst, M, Sieghart, W & Ecker, G 2010, 'Identification of binding modes of benzodiazepine binding site ligands by a combined docking-pharmacophore modeling approach.', Drugs of the Future, vol. 35, pp. 173-173.
Klepsch, F, Jabeen, I, Chiba, P & Ecker, G 2010, 'Pharmacoinformatic approaches to design natural product type ligands of ABC-transporters.', Current Pharmaceutical Design, vol. 16, no. 15, pp. 1742-1752.
Jabeen, I, Wetwitayaklung, P, Klepsch, F, Chiba, P & Ecker, G 2010, 'Stereoselective interaction of benzopyrano[3,4-b][1,4]oxazines with p-glycoprotein.', Unknown Journal.
Thai, KM, Windisch, A, Stork, D, Weinzinger, A, Schiesaro, A, Guy, HR, Timin, E, Hering, S & Ecker, G 2010, 'The hERG potassium channel and drug trapping: insights from docking studies with propafenone derivatives: The hERG potassium channel and drug trapping: insight from docking studies with propafenone derivatives.', ChemMedChem: chemistry enabling drug discovery, vol. 5, no. 3, pp. 436-442. https://doi.org/10.1002/cmdc.200900374
Sucic, S, Dallinger, S, Zdrazil, B, Weissensteiner, R, Jorgensen, TN, Holy, M, Kudlacek, O, Seidel, S, Cha, JH, Gether, U, Newman, AH, Ecker, G, Freissmuth, M & Sitte, HH 2010, 'The N terminus of monoamine transporters is a lever required for the action of amphetamines', Journal of Biological Chemistry, vol. 285, no. 14, pp. 10924-10938. https://doi.org/10.1074/jbc.M109.083154
Activities
Showing entries 1 - 5 out of 202
In silica prediction of toxicity - from QSAR models to biological fingerprinting
Gerhard Ecker
AAPR 23 - patterns in one health
Conference,
Talk or oral contribution
25.10.2023 - 25.10.2023
Predicting chemicals' Molecular Initiating Events (MIEs) based on protein structure
Gerhard Ecker
ASPIS Open Symposium
Conference,
Talk or oral contribution
25.11.2022 - 25.11.2022
Structure-based prediction of molecular initiating events - where are we?
Gerhard Ecker
3rd In silico Toxicology Conference 2022
Conference,
Talk or oral contribution
29.9.2022 - 29.9.2022
Transporter Informatics and Computational Toxicology - from QSAR to Machine Learning and beyond
Gerhard Ecker
Advanced summer School in Drug Research and Development
Summer/Winter school,
Talk or oral contribution
7.9.2022 - 7.9.2022
Hypothesis generation for variant effects using a KNIME workflow for automatic mapping of disease-related mutations onto 3D protein structures
Jiahui Huang
,
Claire Colas
,
Gerhard Ecker
ACS Fall 2022
Conference,
Poster presentation
21.8.2022 - 21.8.2022