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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 141 - 145 out of 202
P-glycoprotein - from inhibitor design to substrate prediction
Gerhard Ecker
44 Recontres Internationales de Chimie Therapeutique - Interfacing Chemical Biology, Natural Products and Drug Discovery
Conference,
Talk or oral contribution
3.7.2008 - 3.7.2008
Prediction of substrate properties for ABC Drug-Transporter: The challenge continues
Gerhard Ecker
10th European Regional Meeting of the International-Society-for-the-Study-of-Xenobiotics
Conference,
Talk or oral contribution
19.5.2008 - 19.5.2008
Classification models for hERG inhibitors by counter-propagation neural networks
Gerhard Ecker
235th American-Chemical-Society National Meeting (ACS 2018)
Conference,
Talk or oral contribution
10.4.2008 - 10.4.2008
Pharmacoinformatic approaches to target P-glycoprotein - from inhibitor design to substrate prediction
Gerhard Ecker
235th American-Chemical-Society National Meeting (ACS 2018)
Conference,
Talk or oral contribution
8.4.2008 - 8.4.2008
EUROPIN - A European Pharmacoinformatics Initative
Gerhard Ecker
II Innovative Medicines Initiative Information Day
Conference,
Talk or oral contribution
11.3.2008 - 11.3.2008