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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 146 - 150 out of 314
Di, L, Artursson, P, Avdeef, A, Ecker, G, Faller, B, Fischer, H, Houston, JB, Kansy, M, Kerns, EH, Krämer, SD, Lennernaes, H & Sugano, K 2012, 'Evidence-based approach to assess passive diffusion and carrier-mediated drug transport', Drug Discovery Today, vol. 17, no. 15-16, pp. 905-912. https://doi.org/10.1016/j.drudis.2012.03.015
Ecker, GF & Williams-Jones, B 2012, 'Open Innovation in Drug Discovery', Molecular Informatics, vol. 31, no. 8, pp. 519-520. https://doi.org/10.1002/minf.201280004
Zdrazil, B, Blomberg, N & Ecker, G 2012, 'Taking Open Innovation to the Molecular Level - Strengths and Limitations', Molecular Informatics, vol. 31, no. 8, pp. 528-535. https://doi.org/10.1002/minf.201200014
Richter, L, de Graaf, C, Sieghart, W, Varagic, Z, Moerzinger, M, de Esch, IJP, Ecker, GF & Ernst, M 2012, 'Diazepam-bound GABA(A) receptor models identify new benzodiazepine binding-site ligands', Nature Chemical Biology, vol. 8, no. 5, pp. 455-464. https://doi.org/10.1038/NCHEMBIO.917
Jabeen, I, Pleban, K, Rinner, U, Chiba, P & Ecker, GF 2012, 'Structure–Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-Glycoprotein.', Journal of Medicinal Chemistry, vol. 55, no. 7, pp. 3261-3273. https://doi.org/10.1021/jm201705f
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