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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 312
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
Klepsch, F, Prokes, K, Parveen, Z, Chiba, P & Ecker, G 2012, 'Structure based pharmacophore screening for new P-gp inhibitors', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 243.
Sitte, H, Schicker, K, Bulling, S, Hamilton, PJ, Stuebiger, G, Matthies, HJ, Galli, A, Ecker, GF, Bochkov, V, Boehm, S & Buchmayer, F 2012, 'Amphetamine Actions Rely on the Availability of Phosphatidylinositol-4,5-Bisphosphate', Biophysical Journal, vol. 102, no. 3, Suppl. 1, pp. 19a. https://doi.org/10.1016/j.bpj.2011.11.126
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