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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 106 - 110 out of 202
Predicting Interaction with ABC-Transporters involved in ADME
Gerhard Ecker
PhysChem and ADMET Profiling in Drug Research - The 4th LogP Symposium
Conference,
Talk or oral contribution
10.2.2009 - 10.2.2009
Combined in silico/in vitro screening tools for identification of new insulin receptor ligands
Daniela Digles
,
Verena Dirsch
,
Gerhard Ecker
Nicht angegeben
Other,
Poster presentation
..2009 - ..2009
Combined 2D- and 3D-QSAR analysis of benzopyran type inhibitors of P-glycoprotein
Ishrat Jabeen
,
Peter Chiba
,
Gerhard Ecker
6th Joint Meeting on Medicinal Chemistry (EFMC)
Conference,
Poster presentation
..2009 - ..2009
Combining multiple approaches in pose evaluation - application to the GABA-A receptor
Lars Richter
,
Margot Ernst
,
Werner Sieghart
,
Gerhard Ecker
7th European Workshop in Drug Design
Seminar/Workshop,
Poster presentation
..2009 - ..2009
Condor@Univie - A Distributed System Web Portal for Rigid & Flexible Ligand-Protein Docking
Gerald Stampfel
,
Michael Demel
,
Thomas Stockner
,
Wilfried Gansterer
,
Gerhard Ecker
21. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft
Conference,
Poster presentation
..2009 - ..2009