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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 71 - 75 out of 307
Kotsampasakou, E, Escher, SE & Ecker, GF 2017, 'Curated human hyperbilirubinemia data and the respective OATP1B1 and 1B3 inhibition predictions', Data in Brief, vol. 11, pp. 204-207. https://doi.org/10.1016/j.dib.2017.02.009
Kotsampasakou, E, Escher, SE & Ecker, GF 2017, 'Linking organic anion transporting polypeptide 1B1 and 1B3 (OATP1B1 and OATP1B3) interaction profiles to hepatotoxicity - The hyperbilirubinemia use case', European Journal of Pharmaceutical Sciences, vol. 100, pp. 9-16. https://doi.org/10.1016/j.ejps.2017.01.002
Kotsampasakou, E & Ecker, GF 2017, 'Predicting Drug-Induced Cholestasis with the Help of Hepatic Transporters-An in Silico Modeling Approach', Journal of Chemical Information and Modeling, vol. 57, no. 3, pp. 608-615. https://doi.org/10.1021/acs.jcim.6b00518
Goldmann, D, Zdrazil, B, Digles, D & Ecker, GF 2017, 'Empowering pharmacoinformatics by linked life science data', Journal of Computer-Aided Molecular Design, vol. 31, no. 3, pp. 319-328. https://doi.org/10.1007/s10822-016-9990-4
Montanari, F, Cseke, A, Wlcek, K & Ecker, G 2017, 'Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors', Journal of Biomolecular Screening, vol. 22, no. 1, pp. 86-93. https://doi.org/10.1177/1087057116657513
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