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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 314
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
Brunhofer-Bolzer, G, Studenik, C, Ecker, G & Erker, T 2011, 'Synthesis, spasmolytic activity and structure-activity relationship study of a series of polypharmacological thiobenzanilides', European Journal of Pharmaceutical Sciences, vol. 42, no. 1-2, pp. 37-44. https://doi.org/10.1016/j.ejps.2010.10.005
Activities
Showing entries 1 - 5 out of 203
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
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