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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 241 - 245 out of 312
Ecker, G & Chiba, P 2006, 'Computational 3D elucidation of the human ABC-transporter P-glycoprotein in the post-hydrolytic state', Drugs of the Future, vol. 31, no. Suppl A.
Stuppner, H, Ecker, G & Glasl-Tazreiter, S 2006, 'Diplomstudium versus Bakkalaureat', Österreichische Apothekerzeitung, vol. 60, no. 8, pp. 397-399. <http://www.oephg.at/getbinobj.asp?id=101>
Ecker, G 2006, 'HYDRAA - a tool to implement hydrophobic moments in structure activity relationships and molecular alignment', Unknown Journal, pp. 89-90.
Ecker, G, Kopp, S, Smiesko, M & Chiba, P 2006, 'Interaction field based and hologram based QSAR analysis of propafenone-type modulators of multidrug resistance', Medicinal Chemistry, vol. 1, pp. 431-444.
Beyer, A, Wolschann, KP, Ecker, G, Chiba, P, Stockner, T & Wohlfart, R 2006, 'Molecular dynamics simulation studies of nucleotide free P-glycoprotein in a POPC bilayer', Drugs of the Future, vol. 31, no. Suppl A.
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