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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 161 - 165 out of 316
Schwaha, R & Ecker, G 2011, 'Use of shape similarities for classification of P-glycoprotein substrates and non-substrates.', Future Medicinal Chemistry, vol. 3, no. 9, pp. 1117-1128. https://doi.org/10.4155/FMC.11.58
Klepsch, F, Chiba, P & Ecker, G 2011, 'Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein', PLoS Computational Biology, vol. 7, no. 5, 1002036. https://doi.org/10.1371/journal.pcbi.1002036
Klepsch, F & Ecker, GF 2011, 'Exhaustive docking protocol with SAR-based pose selection', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 241.
Klepsch, F, Vosmeer, R, Geerke, D, Oostenbrink, C & Ecker, G 2011, 'Insights into the binding mode of propafenone type P-glycoprotein inhibitors', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 241.
Parveen, Z, Stockner, T, Bentele, C, Pferschy, S, Kraupp, M, Freissmuth, M, Ecker, G & Chiba, P 2011, 'Molecular Dissection of Dual Pseudosymmetric Solute Translocation Pathways in Human P-Glycoprotein', Molecular Pharmacology, vol. 79, no. 3, pp. 443-452. https://doi.org/10.1124/mol.110.067611
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