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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 31 - 35 out of 202
Exploiting Linked Open Data - the Power of Workflows
Gerhard Ecker
SLAS Conference on Compound Management in Industry and Academia
Conference,
Talk or oral contribution
12.4.2016 - 12.4.2016
Quantitative structure-kinetics relationships - can we predict on and off-kinetics?
Gerhard Ecker
PSDI 2014 - Protein Structure Determination in Industry
Conference,
Talk or oral contribution
4.11.2014 - 4.11.2014
the Open PHACTS Discovery Platform - Semantic data integration in Pharmacoinformatics
Gerhard Ecker
Summer School in Biotechnology
Conference,
Talk or oral contribution
26.9.2014 - 26.9.2014
It's all about integration - from docking to structure-based classification and prediction of side effects
Gerhard Ecker
7th SFB Annual Symposium
Conference,
Talk or oral contribution
10.9.2014 - 10.9.2014
The Open PHACTS Discovery Platform - Semantic data integration for medicinal chemists
Gerhard Ecker
23rd International Symposium on Medicinal Chemistry (EFMC-ISMC 2014)
Conference,
Talk or oral contribution
8.9.2014 - 8.9.2014