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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 156 - 160 out of 202
HERG potassium channel and drug trapping: binary QSAR and insights from propafenone derivatives
Andreas Windisch
,
Evgeny Timin
,
Steffen Hering
,
Gerhard Ecker
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference,
Poster presentation
..2008 - ..2008
Molecular Modelling Studies for analyzing differences in interactions between substrates and inhibitors of the serotonin transporter
Gerhard Ecker
,
Michael Demel
,
Marie-Theresa Winkler
,
Harald H. Sitte
SFB-Symposium 08
Conference,
Poster presentation
..2008 - ..2008
Similarity based descriptors for classification of ABCB1 substrates
Gerhard Ecker
,
Rita Schwaha
17th European Symposium on Quantitative Structure-Activity Relationships & Omics Technologies and Systems Biology
Conference,
Poster presentation
..2008 - ..2008
Use your brain - artificial neural networks in drug design
Gerhard Ecker
Talk or oral contribution
7.12.2007 - 7.12.2007
Polyspecific proteins - safety sciences on the molecular level
Gerhard Ecker
Talk or oral contribution
25.10.2007 - 25.10.2007