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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 221 - 225 out of 314
Janecek, A, Gansterer, W, Ecker, G, Demel, M & Thai, KM 2008, 'Predictive QSAR Models for Polyspecific Drug Targets: The Importance of Feature Selection', Current Computer - Aided Drug Design, vol. 4, no. 2, pp. 91-110. https://doi.org/10.2174/157340908784533256
Schwaha, R & Ecker, G 2008, 'The Similarity Principle - New trends and applications in Ligand-based drug discovery and ADMET profiling', Scientia Pharmaceutica, vol. 76, no. 1, pp. 5-18.
Ecker, GF, Zdrazil, B & Prakasvudhisarn, C 2007, 'MEDI 175-NCI60 screening data: A versatile tool for in silico models predicting substrate properties for ABC-transporter', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 234.
Zdrazil, B, Kaiser, D, Kopp, S, Chiba, P & Ecker, GF 2007, 'Similarity-based descriptors (SIBAR) as tool for QSAR studies on P-glycoprotein inhibitors: Influence of the reference set', QSAR & Combinatorial Science, vol. 26, no. 5, pp. 669-678. https://doi.org/10.1002/qsar.200610149
Kaiser, D, Terfloth, L, Kopp, S, Schulz, J, De Laet, R, Chiba, P, Ecker, G & Gasteiger, J 2007, 'Self-organizing maps for identification of new inhibitors of P-glycoprotein', Journal of Medicinal Chemistry, vol. 50, no. 7, pp. 1698-1702. https://doi.org/10.1021/jm060604z
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