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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 46 - 50 out of 202
Computational Drug Design
Gerhard Ecker
Trends in natural products research
Conference,
Talk or oral contribution
24.7.2013 - 24.7.2013
Integrated approaches - from docking poses to prediction of side effects
Gerhard Ecker
9th Joint Meeting on Medicinal Chemistry
Conference,
Talk or oral contribution
1.7.2013 - 1.7.2013
RICT 2014 - Rencontres Internationales de Chimie Therapeutique
Gerhard Ecker
RICT 2014 - Rencontres Internationales de Chimie Therapeutique
Conference,
Organisation of ...
1.7.2013 - 6.7.2014
Exploiting open data - a new era in pharmacoinformatics
Gerhard Ecker
9th European workshop in Drug Design
Seminar/Workshop,
Talk or oral contribution
22.5.2013 - 22.5.2013
Open PHACTS - a novel platform for integrated data-driven drug discovery
Gerhard Ecker
Drug Discovery Innovations
Conference,
Talk or oral contribution
20.3.2013 - 20.3.2013