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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 136 - 140 out of 202
Prediction of ligands of promiscuous targets - safety sciences on the molecular level
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
Optimizing Ligands for Promiscuous Targets - A Case Study for P-glycoprotein Inhibitors
Gerhard Ecker
SFB-Symposium 08
Conference,
Talk or oral contribution
26.9.2008 - 26.9.2008
Pharmacoinformatic approaches to target polyspecific proteins
Gerhard Ecker
Summer School on Molecular Modeling and Drug Design
Summer/Winter school,
Talk or oral contribution
13.9.2008 - 13.9.2008
Use your brain - artificial neural networks in drug discovery
Gerhard Ecker
Summer School on Molecular Modeling and Drug Design
Summer/Winter school,
Talk or oral contribution
12.9.2008 - 12.9.2008
EUROPIN - A European Pharmacoinformatics Initative
Gerhard Ecker
New Perspectives for Higher Education Institutions: The centralised Erasmus activities in the EU Program for Life Long Learning
Seminar/Workshop,
Talk or oral contribution
4.7.2008 - 4.7.2008