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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 111 - 115 out of 312
Pinto, M, Digles, D & Ecker, GF 2014, 'Computational models for predicting the interaction with ABC transporters', Drug Discovery Today: Technologies, vol. 12, pp. e69-e77. https://doi.org/10.1016/j.ddtec.2014.03.007
Ecker, GF 2014, 'Transmembrane drug transporter - taxonomy, assays, and their role in drug discovery', Drug Discovery Today: Technologies, vol. 12, pp. e35-e36. https://doi.org/10.1016/j.ddtec.2014.04.002
Viereck, M, Gaulton, A, Digles, D & Ecker, GF 2014, 'Transporter taxonomy - a comparison of different transport protein classification schemes', Drug Discovery Today: Technologies, vol. 12, pp. e37-e46. https://doi.org/10.1016/j.ddtec.2014.03.004
Carrió, P, Pinto, M, Ecker, G, Sanz, F & Pastor, M 2014, 'Applicability Domain ANalysis (ADAN): a robust method for assessing the reliability of drug property predictions', Journal of Chemical Information and Modeling, vol. 54, no. 5, pp. 1500-1511. https://doi.org/10.1021/ci500172z
Montanari, F & Ecker, G 2014, 'BCRP Inhibition: from Data Collection to Ligand-Based Modeling', Molecular Informatics, vol. 33, no. 5, pp. 322-331. https://doi.org/10.1002/minf.201400012
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