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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 256 - 260 out of 307
Ecker, G & Zdrazil, B 2005, 'Similarity-based descriptors (SIBAR) as tool for exchange of chemical information', Unknown Journal.
Ecker, G, Pleban, K, Kopp, S, Csaszar, E, Poelarends, GJ, Putman, M, Kaiser, D, Konings, WN & Chiba, P 2004, 'A three-dimensional model for the substrate binding domain of the multidrug ATP binding cassette transporter LmrA', Molecular Pharmacology, vol. 66, no. 5, pp. 1169-1179. https://doi.org/10.1124/mol.104.001420
Lauer, R, Bauer, R, Linz, B, Pittner, F, Peschek, G, Ecker, G, Friedl, P & Noe, C 2004, 'Development of an in vitro blood-brain barrier model based on immortalized porcine brain microvascular endothelial cells', Il Farmaco, vol. 59, no. 2, pp. 133-137. https://doi.org/10.1016/j.farmac.2003.11.007
Pleban, K, Macchiarulo, A, Costantino, G, Pellicciari, R, Chiba, P & Ecker, G 2004, 'Homology model of the multidrug transporter LmrA from Lactococcus lactis', Bioorganic & Medicinal Chemistry Letters, vol. 14, no. 23, pp. 5823-5826. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-6944243452&partner@&rel=R5.0.4>
Noe, C & Ecker, G 2004, 'In silico prediction models for blood-brain barrier permeation', Current Medicinal Chemistry, vol. 11, no. 12, pp. 1617-1628. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-1042275637&partner@&rel=R5.0.4>
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