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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 96 - 100 out of 202
Synthesis, anti-tumor activity, and docking studies of novel combretastatin analogs.
Rita Fürst
,
Christina Nowikow
,
Agnes Berenyi
,
Gerhard Ecker
,
Istvan Zupko
,
Uwe Rinner
239th ACS National Meeting
Conference,
Poster presentation
..2010 - ..2010
Tricyclic antidepressants competitively inhibit the serotonin transporter via an interaction involving two discontinuous binding sites.
Subhodeep Sarker
,
Rene Weissensteiner
,
Ilka M. Steiner
,
Harald H. Sitte
,
Gerhard Ecker
,
Michael Freissmuth
,
Sonja Sucic
3rd SFB35 Symposium 2010
Conference,
Poster presentation
..2010 - ..2010
In silico studies for prediction of substrates and inhibitors of P-glycoprotein.
Gerhard Ecker
Talk or oral contribution
1.9.2009 - 1.9.2009
2D- and 3D-similarity based classification systems for substrate prediction of ABCB1
Rita Schwaha
,
Gerhard Ecker
238th American Chemical Society National Meeting & Exposition
Conference,
Poster presentation
18.8.2009 - 18.8.2009
The medicinal chemistry of P-glycoprotein – ligand- and target-based studies
Gerhard Ecker
Talk or oral contribution
1.8.2009 - 1.8.2009