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 1 - 5 out of 307
Granulo, N, Sosnin, S, Digles, D & Ecker, GF 2024, 'The macrocycle inhibitor landscape of SLC‐transporter', Molecular Informatics. https://doi.org/10.1002/minf.202300287
Smajić, A, Grandits, M & Ecker, GF 2023, 'Privacy-preserving techniques for decentralized and secure machine learning in drug discovery', Drug Discovery Today, vol. 28, no. 12, 103820, pp. 1-8. https://doi.org/10.1016/j.drudis.2023.103820
Grillberger, K, Cöllen, E, Trivisani, CI, Blum, J, Leist, M & Ecker, G 2023, 'Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging', International Journal of Molecular Sciences, vol. 24, no. 17, 13170. https://doi.org/10.3390/ijms241713170
Smajić, A, Rami, I, Sosnin, S & Ecker, GF 2023, 'Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets', Chemical Research in Toxicology, vol. 36, no. 8, pp. 1300-1312. https://doi.org/10.1021/acs.chemrestox.3c00042
Dvorak, V, Casiraghi, A, Colas, C, Koren, A, Tomek, T, Offensperger, F, Rukavina, A, Tin, G, Hahn, E, Dobner, S, Frommelt, F, Boeszoermenyi, A, Bernada, V, Hannich, JT, Ecker, GF, Winter, GE, Kubicek, S & Superti-Furga, G 2023, 'Paralog-dependent isogenic cell assay cascade generates highly selective SLC16A3 inhibitors', Cell Chemical Biology, vol. 30, no. 8, pp. 953-964.e9. https://doi.org/10.1016/j.chembiol.2023.06.029
Activities
Showing entries 111 - 115 out of 202
Docking into symmetric binding sites: problems and solutions exemplified on the hERG potassium channel
Andrea Schiesaro
,
Lars Richter
,
Andreas Windisch
,
Evgeny Timin
,
Steffen Hering
,
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Poster presentation
..2009 - ..2009
Docking of multiple ligands into a new homology model of the serotonin transporter
Rene Weissensteiner
,
Harald H. Sitte
,
Michael Freissmuth
,
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Poster presentation
..2009 - ..2009
Docking of substrates and inhibitors into new models of neurotransmitter:sodium symporter
Rene Weissensteiner
,
Harald H. Sitte
,
Michael Freissmuth
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009
Docking studies on the hERG potassium channel: in silico prediction of ligand trapping
Andrea Schiesaro
,
Andreas Windisch
,
Evgeny Timin
,
Steffen Hering
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009
Docking studies on the insulin receptor
Daniela Digles
,
Verena Dirsch
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009