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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 21 - 25 out of 306
Niello, M, Cintulová, D, Raithmayr, P, Holy, M, Jäntsch, K, Colas, C, Ecker, GF, Sitte, HH & Mihovilovic, MD 2021, 'Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro', Frontiers in Pharmacology, vol. 12, 654061. https://doi.org/10.3389/fphar.2021.654061
Van der Stel, W, Carta, G, Eakins, J, Delp, J, Suciu, I, Forsby, A, Cediel-Ulloa, A, Attoff, K, Troger, F, Kamp, H, Gardner, I, Zdrazil, B, Moné, MJ, Ecker, GF, Pastor, M, Gómez-Tamayo, JC, White, A, Danen, EHJ, Leist, M, Walker, P, Jennings, P, Hougaard Bennekou, S & Van de Water, B 2021, 'New approach methods supporting read-across: Two neurotoxicity AOP-based IATA case studies', Altex, vol. 38, no. 4, pp. 615-635. https://doi.org/10.14573/altex.2103051
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, pp. 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
Activities
Showing entries 1 - 5 out of 201
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
Wie lassen sich Elternschaft und Wissenschaft vereinbaren?
Veronika Wöhrer
,
Gerhard Ecker
,
Therese Garstenauer
,
Benjamin Herr
,
Alice Leal
Wie lassen sich Elternschaft und Wissenschaft an der Universität Wien vereinbaren?
Panel discussion, round table,
Talk or oral contribution
13.6.2022 - 13.6.2022