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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 56 - 60 out of 202
Virtual Screening for New GABA Transporter 1 Inhibitors Based on Insights Acquired by Comparative Modeling
Andreas Jurik
,
Barbara Zdrazil
,
Harald H. Sitte
,
Gerhard Ecker
245th National Spring Meeting of the American-Chemical-Society (ACS)
Conference,
Poster presentation
..2013 - ..2013
The medicinal chemistry of drug transport – knowledge based ligand design.
Gerhard Ecker
3rd Portuguese Meeting on Medicinal Chemistry
Conference,
Talk or oral contribution
28.11.2012 - 28.11.2012
Ligand efficiency and lipophilic efficiency – versatile parameters for the design of inhibitors of transmembrane transporters?
Gerhard Ecker
5th Annual SFB35 Symposium "Transmembrane Transporters in Health and Disease"
Conference,
Talk or oral contribution
24.9.2012 - 24.9.2012
The molecular basis of drug-transporter interaction - science or fiction?
Gerhard Ecker
42nd Annual Drug Metabolism Gordon Research Conference
Conference,
Talk or oral contribution
12.7.2012 - 12.7.2012
Arzneistofftransporter und ihre Rolle in der Pharmaforschung
Gerhard Ecker
Talk or oral contribution
21.6.2012 - 21.6.2012