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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 31 - 35 out of 307
Superti-Furga, G, Lackner, D, Wiedmer, T, Ingles-Prieto, A, RESOLUTE consortium & Steppan, C 2020, 'The RESOLUTE consortium: unlocking SLC transporters for drug discovery', Nature Reviews. Drug Discovery, vol. 19, no. 7, pp. 429-430. https://doi.org/10.1038/d41573-020-00056-6
Lie, MEK, Kickinger, S, Skovgaard-Petersen, J, Ecker, GF, Clausen, RP, Schousboe, A, White, HS & Wellendorph, P 2020, 'Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects', Neurochemical research, vol. 45, 1551–1565, pp. 1551-1565. https://doi.org/10.1007/s11064-020-03017-y
Girardi, E, César-Razquin, A, Lindinger, S, Papakostas, K, Konecka, J, Hemmerich, J, Kickinger, S, Kartnig, F, Gürtl, B, Klavins, K, Sedlyarov, V, Ingles-Prieto, A, Fiume, G, Koren, A, Lardeau, C-H, Kumaran Kandasamy, R, Kubicek, S, Ecker, GF & Superti-Furga, G 2020, 'A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs', Nature Chemical Biology, vol. 16, no. 4, pp. 469–478. https://doi.org/10.1038/s41589-020-0483-3
Asilar, E, Hemmerich, J & Ecker, GF 2020, 'Image Based Liver Toxicity Prediction', Journal of Chemical Information and Modeling, vol. 60, no. 3, pp. 1111-1121. https://doi.org/10.1021/acs.jcim.9b00713
Hemmerich, J, Asilar, E & Ecker, GF 2020, 'COVER: conformational oversampling as data augmentation for molecules', Journal of Cheminformatics, vol. 12, 18. https://doi.org/10.1186/s13321-020-00420-z
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