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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 91 - 95 out of 316
Zdrazil, B, Hellsberg, E, Viereck, M & Ecker, GF 2016, 'From linked open data to molecular interaction: Studying selectivity trends for ligands of the human serotonin and dopamine transporter', MedChemComm, vol. 7, no. 9, pp. 1819-1831. https://doi.org/10.1039/c6md00207b
Digles, D, Zdrazil, B, Neefs, JM, Van Vlijmen, H, Herhaus, C, Caracoti, A, Brea, J, Roibás, B, Loza, MI, Queralt-Rosinach, N, Furlong, LI, Gaulton, A, Bartek, L, Senger, S, Chichester, C, Engkvist, O, Evelo, CT, Franklin, NI, Marren, D, Ecker, GF & Jacoby, E 2016, 'Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: Knowing the knowns', MedChemComm, vol. 7, no. 6, pp. 1237-1244. https://doi.org/10.1039/c6md00065g
Kotsampasakou, E, Jäger, W & Ecker, GF 2015, 'Identification of Novel Inhibitors of Organic Anion Transporting Polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) Using a Consensus Vote of Six Classification Models', Molecular Pharmaceutics, vol. 12, no. 12, pp. 4395-4404. https://doi.org/10.1021/acs.molpharmaceut.5b00583
Venkatesan, S, Saha, K, Sohail, A, Sandtner, W, Freissmuth, M, Ecker, GF, Sitte, HH & Stockner, T 2015, 'Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site', PLoS Computational Biology, vol. 11, no. 10, e1004551, pp. e1004551. https://doi.org/10.1371/journal.pcbi.1004551
Damgaard, M, Al-Khawaja, A, Vogensen, SB, Jurik, A, Sijm, M, Lie, MEK, Bæk, MI, Rosenthal, E, Jensen, AA, Ecker, GF, Frølund, B, Wellendorph, P & Clausen, RP 2015, 'Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3', ACS Chemical Neuroscience, vol. 6, no. 9, pp. 1591-1599. https://doi.org/10.1021/acschemneuro.5b00150
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