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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 81 - 85 out of 202
Pharmacoinformatic approaches to predict substrates and inhibitors of ABCB11/BSEP.
Petra Urach
,
Gerhard Ecker
,
Michael Trauner
,
Peter Chiba
Joint Meeting of the Austrian and German Pharmaceutical Societies
Conference,
Poster presentation
..2011 - ..2011
Ligand- and structure-based approaches for targeting drug transporter
Gerhard Ecker
18th European Symposium on Quantitative Structure-Activity Relationships
Conference,
Talk or oral contribution
20.9.2010 - 20.9.2010
Experimental data guided ligand docking - a versatile approach for elucidating the molecular basis of drug/transporter interactions
Gerhard Ecker
3rd SFB35 Symposium 2010
Conference,
Talk or oral contribution
3.9.2010 - 3.9.2010
Computational drug design - where are we and where to go
Gerhard Ecker
6th PhD-Symposium (Young Scientists Association of the Medical University of Vienna)
Conference,
Talk or oral contribution
17.6.2010 - 17.6.2010
Prediction of ADMET – from rules to networks
Gerhard Ecker
3rd European Workshop in Drug Synthesis
Seminar/Workshop,
Talk or oral contribution
24.5.2010 - 24.5.2010