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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 151 - 155 out of 202
Classification of ABCB1 substrates using similarity based descriptors
Rita Schwaha
,
Gerhard Ecker
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference,
Poster presentation
..2008 - ..2008
Classification of insulin receptor activators with self-organising maps
Daniela Digles
,
Gerhard Ecker
,
Verena Dirsch
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference,
Poster presentation
..2008 - ..2008
Comparison of contenmporary feature selection algorithms: application to the classification of substrates for ABC-transporter
Andreas Janecek
,
Michael Demel
,
Gerhard Ecker
,
Wilfried Gansterer
,
Oliver Krämer
,
Eric Haaksma
,
Peter Ettmayer
17th European Symposium on Quantitative Structure-Activity Relationships & Omics Technologies and Systems Biology
Conference,
Poster presentation
..2008 - ..2008
Docking studies on hERG potassium channels - trapping of propafenone derivatives
Evgeny Timin
,
Steffen Hering
,
Andrea Schiesaro
,
Gerhard Ecker
,
Andreas Windisch
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference,
Poster presentation
..2008 - ..2008
Experimental data guided ligand docking - a tool for elucidating the binding mode of benzodiazepines
Gerhard Ecker
,
Lars Richter
,
Margot Ernst
,
Erwin Sigel
,
Werner Sieghart
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference,
Poster presentation
..2008 - ..2008