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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 312
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 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