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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 126 - 130 out of 202
Ligand docking of propafenones into homology models of P-glycoprotein representing two different states of the catalytic cycle
Freya Klepsch
,
Thomas Stockner
,
Peter Chiba
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009
Ligand-based screening tools for insulin receptor activating compounds
Daniela Digles
,
Verena Dirsch
,
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Poster presentation
..2009 - ..2009
QSAR, HQSAR and GRIND studies on a set of heterocyclic propafenone-type inhibitors of P-glycoprotein
Ishrat Jabeen
,
Wolfgang Holzer
,
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Poster presentation
..2009 - ..2009
QSAR-guided synthesis of chalcone-like P-glycoprotein inhibitors
Gerda Brunhofer-Bolzer
,
Thomas Erker
,
Ishrat Jabeen
,
Gerhard Ecker
,
Peter Chiba
,
Zahida Parveen
Nicht angegeben
Other,
Poster presentation
..2009 - ..2009
SIBAR descriptors for classification of P-glycoprotein substrates
Rita Schwaha
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009