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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 312
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
Buchmayer, F, Schicker, K, Steinkellner, T, Geier, P, Stübiger, G, Hamilton, PJ, Jurik, A, Stockner, T, Yang, J-W, Montgomery, T, Holy, M, Hofmaier, T, Kudlacek, O, Matthies, HJG, Ecker, GF, Bochkov, V, Galli, A, Boehm, S & Sitte, HH 2013, 'Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate', Proceedings of the National Academy of Sciences of the United States of America (PNAS), vol. 110, no. 28, pp. 11642-11647. https://doi.org/10.1073/pnas.1220552110
Baur, R, Kielar, M, Richter, L, Ernst, M, Ecker, GF & Sigel, E 2013, 'Molecular analysis of the site for 2-arachidonylglycerol (2-AG) on the β₂ subunit of GABA(A) receptors', Journal of Neurochemistry, vol. 126, no. 1, pp. 29-36. https://doi.org/10.1111/jnc.12270
Jacoby, E, Azzaoui, K, Senger, S, Rodríguez, EC, Loza, M, Williams, AJ, De La Torre, V, Mestres, J, Taboureau, O, Rarey, M, Chichester, C, Blomberg, N, Harland, L, Zdrazil, B, Pinto, M & Ecker, G 2013, Scientific requirements for the next-generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS. in Computational Chemogenomics. Pan Stanford, Singapore, pp. 213-242. https://doi.org/10.1201/b15631-10
Activities
Showing entries 1 - 5 out of 202
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
Structure-based prediction of molecular initiating events - where are we?
Gerhard Ecker
3rd In silico Toxicology Conference 2022
Conference,
Talk or oral contribution
29.9.2022 - 29.9.2022
Transporter Informatics and Computational Toxicology - from QSAR to Machine Learning and beyond
Gerhard Ecker
Advanced summer School in Drug Research and Development
Summer/Winter school,
Talk or oral contribution
7.9.2022 - 7.9.2022
Hypothesis generation for variant effects using a KNIME workflow for automatic mapping of disease-related mutations onto 3D protein structures
Jiahui Huang
,
Claire Colas
,
Gerhard Ecker
ACS Fall 2022
Conference,
Poster presentation
21.8.2022 - 21.8.2022