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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 151 - 155 out of 312
Baumann, K, Ecker, GF, Mestres, J & Schneider, G 2012, 'Molecular Informatics - A Leading Discipline in a Complex Emerging Field', Molecular Informatics, vol. 31, no. 1, pp. 3-3. https://doi.org/10.1002/minf.201290001
Pinto, M, Trauner, M & Ecker, G 2012, 'An In Silico Classification Model for Putative ABCC2 Substrates.', Molecular Informatics, vol. 31, no. 8, pp. 547-553. https://doi.org/10.1002/minf.201200049
Zdrazil, B, Pinto, M, Poongavanam, V, Williams, AJ, Balderud, LZ, Engkvist, O, Chichester, C, Hersey, A, Overington, JP & Ecker, G 2012, 'Annotating Human P-Glycoprotein Bioassay Data', Molecular Informatics, vol. 31, no. 8, pp. 599-609. https://doi.org/10.1002/minf.201200059
Williams, AJ, Harland, L, Groth, P, Pettifer, S, Chichester, C, Willighagen, EL, Evelo, CT, Blomberg, N, Ecker, G, Goble, C & Mons, B 2012, 'Open PHACTS: semantic interoperability for drug discovery.', Drug Discovery Today, vol. 17, no. 21-22, pp. 1188-1198. https://doi.org/10.1016/j.drudis.2012.05.016
Singhuber, J, Baburin, I, Ecker, GF, Kopp, B & Hering, S 2011, 'Insights into structure-activity relationship of GABA(A) receptor modulating coumarins and furanocoumarins', European Journal of Pharmacology, vol. 668, no. 1-2, pp. 57-64. https://doi.org/10.1016/j.ejphar.2011.06.034
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