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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 206 - 210 out of 314
Brunhofer-Bolzer, G, Jabeen, I, Parveen, Z, Chiba, P, Erker, T & Ecker, G 2009, 'QSAR-guided synthesis of chalcone-like P-glycoprotein inhibitors', Chemical Abstracts.
Hödl, C, Raunegger, K, Strommer, R, Ecker, G, Kunert, O, Sturm, S, Seger, C, Haslinger, E, Steiner, R, Strauss, WSL & Schramm, H-W 2009, 'Synthesis and antigestagenic activity of mifepristone derivatives.', Journal of Medicinal Chemistry, vol. 52, pp. 1268-1274.
Clayton, T, Ernst, M, Richter, L, Sanker, S, DeLorey, TM, Sieghart, W, Furtmüller, R, Ecker, G & Cook, JM 2009, 'Synthesis of subtype selective ligands for α5 containing GABAA/BZ receptors to treat memory deficits', Chemical Abstracts.
Schwaha, R & Ecker, G 2009, '2D- and 3D-similarity based classification systems for substrate prediction of ABCB1', Chemical Abstracts.
Thai, KM & Ecker, G 2008, 'Classification models for hERG inhibitors by Counter-Propagation Neural Networks', Chemical Biology and Drug Design, vol. 72, no. 4, pp. 279-289. https://doi.org/10.1111/j.1747-0285.2008.00705.x
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