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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 81 - 85 out of 316
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
Puthenkalam, R, Hieckel, M, Simeone, X, Suwattanasophon, C, Feldbauer, RV, Ecker, GF & Ernst, M 2016, 'Structural Studies of GABAA Receptor Binding Sites: Which Experimental Structure Tells us What?', Frontiers in molecular neuroscience, vol. 9, 44, pp. 44. https://doi.org/10.3389/fnmol.2016.00044
Sase, A, Aher, YD, Saroja, SR, Ganesan, MK, Sase, S, Holy, M, Höger, H, Bakulev, V, Ecker, GF, Langer, T, Sitte, HH, Leban, J & Lubec, G 2016, 'A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes', Neuropharmacology, vol. 102, pp. 186-196. https://doi.org/10.1016/j.neuropharm.2015.07.039
Activities
Showing entries 1 - 5 out of 207
AI in Drug Discovery and Toxicity Prediction
Gerhard Ecker
ARUA 2025
Conference,
Talk or oral contribution
30.10.2025 - 30.10.2025
In silico MIE Prediction
Gerhard Ecker
RISK-HUNT3R Stakeholder Symposium
Conference,
Talk or oral contribution
18.6.2025 - 18.6.2025
Prediction of Toxicity
Gerhard Ecker
CCC-Trio 2025
Conference,
Talk or oral contribution
12.6.2025 - 12.6.2025
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