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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 314
Baumann, K, Ecker, GF, Mestres, J & Schneider, G 2010, 'Molecular Informatics - From Models to Molecules and Systems', Molecular Informatics, vol. 29, no. 1-2, pp. 9-9. https://doi.org/10.1002/minf.201000271
Klepsch, F, Chiba, P & Ecker, G 2010, 'Exhaustive sampling of docking poses reveals possible binding modes of propafenones in p-glycoprotein.', Drugs of the Future, vol. 35, pp. 118-119.
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.
Activities
Showing entries 1 - 5 out of 203
Prediction of Toxicity - let's use Fingerprints
Gerhard Ecker
OpenTox Virtual Conference 2024
Conference,
Talk or oral contribution
29.11.2024 - 29.11.2024
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