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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 314
Füzi, B, Gurinova, J, Hermjakob, H, Ecker, G & Malik-Sheriff, RS 2021, 'Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs', Frontiers in Pharmacology, vol. 12, 708296. https://doi.org/10.3389/fphar.2021.708296
Cosco, J, Scalise, M, Colas, C, Galluccio, M, Martini, R, Rovella, F, Mazza, T, Ecker, GF & Indiveri, C 2020, 'ATP modulates SLC7A5 (LAT1) synergistically with cholesterol', Scientific Reports, vol. 10, no. 1, 16738. https://doi.org/10.1038/s41598-020-73757-y
Kickinger, S, Al-Khawaja, A, Haugaard, AS, Lie, MEK, Bavo, F, Loeffler, R, Damgaard, M, Ecker, GF, Frolund, B & Wellendorph, P 2020, 'Exploring the molecular determinants for subtype-selectivity of 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid analogs as betaine/GABA transporter 1 (BGT1) substrate-inhibitors', Scientific Reports, vol. 10, no. 1, 12992. https://doi.org/10.1038/s41598-020-69908-w
Hemmerich, J & Ecker, GF 2020, 'In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways', Wiley Interdisciplinary Reviews. Computational Molecular Science, vol. 10, no. 4, e1475. https://doi.org/10.1002/wcms.1475
Troger, F, Delp, J, Funke, M, van der Stel, W, Colas, C, Leist, M, van de Water, B & Ecker, GF 2020, 'Identification of mitochondrial toxicants by combined in silico and in vitro studies – A structure-based view on the adverse outcome pathway', Computational Toxicology, vol. 14, 100123, pp. 100123. https://doi.org/10.1016/j.comtox.2020.100123
Activities
Showing entries 1 - 5 out of 205
In silico MIE Prediction
Gerhard Ecker
RISK-HUNT3R Stakeholder Symposium
Conference,
Talk or oral contribution
18.6.2025 - 18.6.2025
Prediction of Toxicity
Gerhard Ecker
CCC-Trio 2025
Conference,
Talk or oral contribution
12.6.2025 - 12.6.2025
Prediction of Toxicity - let's use Fingerprints
Gerhard Ecker
OpenTox Virtual Conference 2024
Conference,
Talk or oral contribution
29.11.2024 - 29.11.2024
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