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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 46 - 50 out of 314
Niello, M, Cintulova, D, Hellsberg, E, Jäntsch, K, Holy, M, Ayatollahi, LH, Cozzi, NV, Freissmuth, M, Sandtner, W, Ecker, GF, Mihovilovic, MD & Sitte, HH 2019, 'para-Trifluoromethyl-methcathinone is an allosteric modulator of the serotonin transporter', Neuropharmacology, vol. 161, 107615. https://doi.org/10.1016/j.neuropharm.2019.04.021
Kickinger, S, Hellsberg, E, Frølund, B, Schousboe, A, Ecker, GF & Wellendorph, P 2019, 'Structural and molecular aspects of betaine-GABA transporter 1 (BGT1) and its relation to brain function', Neuropharmacology, vol. 161, 107644. https://doi.org/10.1016/j.neuropharm.2019.05.021
Singh, N, Villoutreix, BO & Ecker, GF 2019, 'Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)', Scientific Reports, vol. 9, no. 1, 15061. https://doi.org/10.1038/s41598-019-51455-8
Eichsteininger, J, Kirisits, K, Smöch, C, Stadlbauer, C, Nguyen, CH, Jäger, W, Özmen, A, Ecker, G, Krupitza, G & Krenn, L 2019, 'Structural insight into the in vitro anti-intravasative properties of flavonoids', Scientia Pharmaceutica, vol. 87, no. 3, 23. https://doi.org/10.3390/scipharm87030023
Hellsberg, E, Ecker, G, Weinzinger, A & Forrest, LR 2019, 'A structural model of the human serotonin transporter in an outward-occluded state', PLoS ONE, vol. 14, no. 6, e0217377. https://doi.org/10.1371/journal.pone.0217377
Activities
Showing entries 1 - 5 out of 203
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
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