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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 314
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
Blaschke, M, McKinnon, R, Nguyen, CH, Holzner, S, Zehl, M, Atanasov, AG, Schelch, K, Krieger, S, Diaz, R, Frisch, R, Feistel, B, Jäger, W, Ecker, GF, Dirsch, VM, Grusch, M, Zupko, I, Urban, E, Kopp, B & Krupitza, G 2015, 'A eudesmane-type sesquiterpene isolated from Pluchea odorata (L.) Cass. combats three hallmarks of cancer cells: Unrestricted proliferation, escape from apoptosis and early metastatic outgrowth in vitro', Mutation Research: fundamental and molecular mechanisms of mutagenesis, vol. 777, pp. 79-90. https://doi.org/10.1016/j.mrfmmm.2015.04.011
Activities
Showing entries 1 - 5 out of 205
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
Predicting chemicals' Molecular Initiating Events (MIEs) based on protein structure
Gerhard Ecker
ASPIS Open Symposium
Conference,
Talk or oral contribution
25.11.2022 - 25.11.2022