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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 126 - 130 out of 316
Klepsch, F, Poongavanam, V & Ecker, GF 2014, 'Ligand and Structure-Based Classification Models for Prediction of P-Glycoprotein Inhibitors', Journal of Chemical Information and Modeling, vol. 54, no. 1, pp. 218-229. https://doi.org/10.1021/ci400289j
Baumann, K, Ecker, GF, Mestres, J & Schneider, G 2014, 'Molecular Informatics Going "Fully Online"', Molecular Informatics, vol. 33, no. 1, pp. 2-2. https://doi.org/10.1002/minf.201480131
Saxena, P, Linder, T, Weinzinger, A, Timin, E, Ecker, GF & Hering, S 2013, 'Refined Molecular Model for Dofetilide-Herg Channel interaction', Indian Journal of Pharmacology, vol. 45, pp. S32-S32.
Azzaoui, K, Jacoby, E, Senger, S, Rodríguez, EC, Loza, M, Zdrazil, B, Pinto, M, Williams, AJ, de la Torre, V, Mestres, J, Pastor, M, Taboureau, O, Rarey, M, Chichester, C, Pettifer, S, Blomberg, N, Harland, L, Williams-Jones, B & Ecker, GF 2013, 'Scientific competency questions as the basis for semantically enriched open pharmacological space development', Drug Discovery Today, vol. 18, no. 17-18, pp. 843-52. https://doi.org/10.1016/j.drudis.2013.05.008
Duernberger, G, Bürckstümmer, T, Huber, K, Giambruno, R, Doerks, T, Karayel, E, Burkard, TR, Kaupe, I, Mueller, AC, Schönegger, A, Ecker, GF, Lohninger, H, Bork, P, Bennett, KL, Superti-Furga, G & Colinge, J 2013, 'Experimental characterization of the human non-sequence-specific nucleic acid interactome', Genome Biology, vol. 14, no. 7, 81, pp. R81. https://doi.org/10.1186/gb-2013-14-7-r81
Activities
Showing entries 1 - 5 out of 207
AI in Drug Discovery and Toxicity Prediction
Gerhard Ecker
ARUA 2025
Conference,
Talk or oral contribution
30.10.2025 - 30.10.2025
In silico MIE Prediction
Gerhard Ecker
RISK-HUNT3R Stakeholder Symposium
Conference,
Talk or oral contribution
18.6.2025 - 18.6.2025
Prediction of Toxicity
Gerhard Ecker
CCC-Trio 2025
Conference,
Talk or oral contribution
12.6.2025 - 12.6.2025
Prediction of Toxicity - let's use Fingerprints
Gerhard Ecker
OpenTox Virtual Conference 2024
Conference,
Talk or oral contribution
29.11.2024 - 29.11.2024
In silica prediction of toxicity - from QSAR models to biological fingerprinting
Gerhard Ecker
AAPR 23 - patterns in one health
Conference,
Talk or oral contribution
25.10.2023 - 25.10.2023