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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 181 - 185 out of 316
Demel, M, Krämer, O, Ettmayer, P, Haaksma, E & Ecker, G 2010, 'Ensemble Rule-based classification of substrates of the human ABC-transporter ABCB1 using simple physicochemical descriptors', Molecular Informatics, vol. 29, no. 3, pp. 233-242. https://doi.org/10.1002/minf.200900079
Baumann, K, Ecker, GF, Mestres, J & Schneider, G 2010, 'Molecular Informatics - From Models to Molecules and Systems', Molecular Informatics, vol. 29, no. 1-2, pp. 9-9. https://doi.org/10.1002/minf.201000271
Klepsch, F, Chiba, P & Ecker, G 2010, 'Exhaustive sampling of docking poses reveals possible binding modes of propafenones in p-glycoprotein.', Drugs of the Future, vol. 35, pp. 118-119.
Richter, L, Ernst, M, Sieghart, W & Ecker, G 2010, 'Identification of binding modes of benzodiazepine binding site ligands by a combined docking-pharmacophore modeling approach.', Drugs of the Future, vol. 35, pp. 173-173.
Klepsch, F, Jabeen, I, Chiba, P & Ecker, G 2010, 'Pharmacoinformatic approaches to design natural product type ligands of ABC-transporters.', Current Pharmaceutical Design, vol. 16, no. 15, pp. 1742-1752.
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