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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 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 131 - 135 out of 202
Synthesis of subtype selective ligands for ?5 containing GABAA/BZ receptors to treat memory deficits
T Clayton
,
Margot Ernst
,
Lars Richter
,
S Sanker
,
Timothy M. DeLorey
,
Werner Sieghart
,
R Furtmüller
,
Gerhard Ecker
,
J M Cook
238th American Chemical Society National Meeting & Exposition
Conference,
Poster presentation
..2009 - ..2009
Synthesis, spasmolytic activity and structure-activity relationship studies of a series of thiobenzanilides
Christian Studenik
,
Thomas Erker
,
Gerda Brunhofer-Bolzer
,
Gerhard Ecker
Nicht angegeben
Other,
Poster presentation
..2009 - ..2009
Using multiple approaches in docking pose evaluation application to the GABA-A receptor
Lars Richter
,
Margot Ernst
,
Werner Sieghart
,
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Poster presentation
..2009 - ..2009
Safety Sciences in silico - Analyse unerwünschter Wirkungen durch molekulare Modellierung
Gerhard Ecker
5. Wissenschaftliches Symposium der Österreichischen Gesellschaft für Toxikologie
Conference,
Talk or oral contribution
19.11.2008 - 19.11.2008
Optimising ligands for promiscuous targets - a case study for P-glycoprotein inhibitors
Gerhard Ecker
BIT's 6th Annual Congress of International Drug Discovery Science and Technology
Conference,
Talk or oral contribution
20.10.2008 - 20.10.2008