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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 36 - 40 out of 202
Open PHACTS - the use of open data for in silico models
Gerhard Ecker
20th EuroQSAR
Conference,
Talk or oral contribution
4.9.2014 - 4.9.2014
Exploiting integrated open data in drug discovery
Gerhard Ecker
Drug Discovery Summit - Drug Design and Medicinal Chemistry
Conference,
Talk or oral contribution
9.5.2014 - 9.5.2014
It's all about integration - From docking poses to structure-based classification and prediction of side effects
Gerhard Ecker
Chemical Computing Group UGM & Conference 2014 - Europe
Conference,
Talk or oral contribution
25.4.2014 - 25.4.2014
Open PHACTS - Building an open pharmacological space
Gerhard Ecker
Spring Meeting of the Swiss Society of Pharmacology and Toxicology
Conference,
Talk or oral contribution
3.4.2014 - 3.4.2014
Analyse der molekularen Basis der GABA Transporter Inhibition
Andreas Jurik
,
Barbara Zdrazil
,
Marion Holy
,
Harald H. Sitte
,
Gerhard Ecker
47.Wissenschaftliche Fortbildungswoche der Österreichischen Apothekerkammer
Conference,
Poster presentation
..2014 - ..2014