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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 256 - 260 out of 312
Ecker, G & Chiba, P 2005, 'Editorial', Mini - Reviews in Medicinal Chemistry, vol. 5, no. 2. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-14544288702&partner@&rel=R5.0.4>
Ecker, G 2005, 'In silico screening of promiscuous targets and antitargets', Chimica oggi - Chemistry today, vol. 23, no. 3, pp. 39-42. <http://chemistry-today.teknoscienze.com/testata.asp?id_testata=46&folder=backissue&id_articolo=498>
Pleban, K & Ecker, G 2005, 'Inhibitors of P-glycoprotein - Lead identification and optimisation', Mini - Reviews in Medicinal Chemistry, vol. 5, no. 2, pp. 153-163. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-14544287387&partner@&rel=R5.0.4>
Pleban, K, Kopp, S, Csaszar, E, Peer, M, Hrebicek, T, Rizzi, A, Ecker, G & Chiba, P 2005, 'P-glycoprotein substrate binding domains are located at the transmembrane domain/transmembrane domain interfaces: A combined photoaffinity labeling-protein homology modeling approach', Molecular Pharmacology, vol. 67, no. 2, pp. 365-374. https://doi.org/10.1124/mol.104.006973
Kaiser, D, Zdrazil, B & Ecker, G 2005, 'Similarity-based descriptors (SIBAR) - A tool for safe exchange of chemical information?', Journal of Computer-Aided Molecular Design, vol. 19, no. 9-10, pp. 687-692. https://doi.org/10.1007/s10822-005-9000-8
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