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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 26 - 30 out of 202
Leveraging linked open data - from transporter interaction profiling to toxicity prediction and beyond
Gerhard Ecker
Janssen internal computational chemistry meeting
Lecture series, colloquium,
Talk or oral contribution
15.3.2017 - 15.3.2017
Exploiting semantically integrated life science data - from transporter profiling to toxicity prediction
Gerhard Ecker
1st MuTaLig COST Action Training School
Summer/Winter school,
Talk or oral contribution
9.2.2017 - 9.2.2017
The power of open data - linking transporter interaction profiles to in vivo toxicity
Gerhard Ecker
Talk or oral contribution
3.2.2017 - 3.2.2017
Leveraging linked open data - from transporter interaction profiles to toxicity prediction
Gerhard Ecker
Talk or oral contribution
19.1.2017 - 19.1.2017
Open Innovation in the Age of Big Data
Gerhard Ecker
Open Innovation
Conference,
Talk or oral contribution
17.11.2016 - 17.11.2016