Follow me on Twitter
I agree that content from Twitter will be displayed to me.
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 26 - 30 out of 306
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
Hemmerich, J, Troger, F, Fuezi, B & Ecker, GF 2020, 'Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity', Molecular Informatics, vol. 39, no. 5, 2000005. https://doi.org/10.1002/minf.202000005
Colas, C, Banci, G, Martini, R & Ecker, G 2020, 'Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models', Scientific Reports, vol. 10, no. 1, 6241. https://doi.org/10.1038/s41598-020-63189-z
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
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