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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 156 - 160 out of 312
Digles, D & Ecker, GF 2011, 'Self-Organizing Maps for In Silico Screening and Data Visualization', Molecular Informatics, vol. 30, no. 10, pp. 838-846. https://doi.org/10.1002/minf.201100082
Malle, E, Zhou, H, Neuhold, J, Spitzenberger, B, Klepsch, F, Pollak, T, Bergner, O, Ecker, GF & Stolt-Bergner, PC 2011, 'Random Mutagenesis of the Prokaryotic Peptide Transporter YdgR Identifies Potential Periplasmic Gating Residues', Journal of Biological Chemistry, vol. 286, no. 26, pp. 23121-23131. https://doi.org/10.1074/jbc.M111.239657
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
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