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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 161 - 165 out of 202
P-glycoprotein - design of inhibitors and prediction of substrates
Gerhard Ecker
Talk or oral contribution
11.9.2007 - 11.9.2007
Vortrag auf Kongress: Recent developments in physics of fundamental interactions
Gerhard Ecker
XXXI International Conference of Theoretical Physics Matter to the deepest: Recent Developments in Physics of Fundamental Interaction
Conference,
Talk or oral contribution
5.9.2007 - 5.9.2007
Multispecificity of drug transporter - probing inhibitor selectivity for the human drug efflux transporter ABCB1 and ABCG2
Gerhard Ecker
Talk or oral contribution
27.8.2007 - 27.8.2007
Chemigenomics and Drug Discovery
Gerhard Ecker
32nd FEBS Congress Molecular Machines, Wien 2007
Conference,
Talk or oral contribution
9.7.2007 - 9.7.2007
P-glycoprotein - from target to antitarget
Gerhard Ecker
Talk or oral contribution
28.6.2007 - 28.6.2007