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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 61 - 65 out of 202
Drug Transporters – Structure, Function, and Modulation
Gerhard Ecker
International Workshop on New Approaches in Drug Design & Development
Seminar/Workshop,
Talk or oral contribution
21.3.2012 - 21.3.2012
Knowledge driven ligand design – ligand-based design meets protein structures
Gerhard Ecker
Talk or oral contribution
7.3.2012 - 7.3.2012
Combining Binary QSAR and Docking for Structure-Activity Relationships of Tiagabine Analogs.
Andreas Jurik
,
Regina Reicherstorfer
,
Barbara Zdrazil
,
Gerhard Ecker
19th EuroQSAR
Conference,
Poster presentation
..2012 - ..2012
Combining Ensemble Docking and Consensus Scoring to Elucidate the Binding Mode of Tiagabine Analogs in hGAT-1.
Andreas Jurik
,
Barbara Zdrazil
,
Harald H. Sitte
,
Stine B. Vogensen
,
Gerhard Ecker
3rd Strasbourg Summer School on Chemoinformatics
Summer/Winter school,
Poster presentation
..2012 - ..2012
Elucidating Binding Events of Tiagabine Analogs by Molecular Dynamics Assisted Docking Studies.
Andreas Jurik
,
Barbara Zdrazil
,
Harald H. Sitte
,
Gerhard Ecker
5th Annual SFB35 Symposium "Transmembrane Transporters in Health and Disease"
Conference,
Poster presentation
..2012 - ..2012