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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 308
Granulo, N, Sosnin, S, Digles, D & Ecker, GF 2024, 'The macrocycle inhibitor landscape of SLC‐transporter', Molecular Informatics, vol. 43, no. 5, e202300287. https://doi.org/10.1002/minf.202300287
Huang, J, Osthushenrich, T, MacNamara, A, Mälarstig, A, Brocchetti, S, Bradberry, S, Scarabottolo, L, Ferrada, E, Sosnin, S, Digles, D, Superti-Furga, G & Ecker, GF 2024, 'ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction', Rsc advances, vol. 14, no. 19, 00748, pp. 13083-13094. https://doi.org/10.1039/d4ra00748d
Grandits, M & Ecker, GF 2024, 'Ligand- and Structure-based Approaches for Transmembrane Transporter Modeling', Current drug research reviews, vol. 16, no. 2, pp. 81-93. https://doi.org/10.2174/2589977515666230508123041
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
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