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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 141 - 145 out of 312
Schiesaro, A, Richter, L & Ecker, GF 2013, 'How to solve the problems of docking into a symmetric binding site: the example of the HERG channel', Scientia Pharmaceutica, vol. 81, no. 3, pp. 677-82. https://doi.org/10.3797/scipharm.1307-01
Poongavanam, V, Haider, N & Ecker, G 2012, 'Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors', Bioorganic & Medicinal Chemistry, vol. 20, no. 18, pp. 5388-5395. https://doi.org/10.1016/j.bmc.2012.03.045
Seddik, A, Zdrazil, B, Weissensteiner, R, Sitte, HH & Ecker, GF 2012, 'Prioritization of docking poses in human serotonin and dopamine transporters by the use of common scaffold clustering', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 244.
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
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