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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 131 - 135 out of 314
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
Jurik, A, Reicherstorfer, R, Zdrazil, B & Ecker, GF 2013, 'Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling', Molecular Informatics, vol. 32, no. 5-6, pp. 415-419. https://doi.org/10.1002/minf.201300020
Seddik, A, Holy, M, Weissensteiner, R, Zdrazil, B, Sitte, HH & Ecker, GF 2013, 'Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling', Molecular Informatics, vol. 32, no. 5-6, pp. 409-413. https://doi.org/10.1002/minf.201300013
Varagic, Z, Wimmer, L, Schnuerch, M, Mihovilovic, MD, Huang, S, Rallapalli, S, Cook, JM, Mirheydari, P, Ecker, GF, Sieghart, W & Ernst, M 2013, 'Identification of novel positive allosteric modulators and null modulators at the GABA(A) receptor α+β- interface', British Journal of Pharmacology, vol. 169, no. 2, pp. 371-383. https://doi.org/10.1111/bph.12151
Activities
Showing entries 1 - 5 out of 203
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
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