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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 171 - 175 out of 314
Jabeen, I, Wetwitayaklung, P, Klepsch, F, Parveen, Z, Chiba, P & Ecker, G 2011, 'Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines', Chemical Communications, vol. 47, no. 9, pp. 2586-2588. https://doi.org/10.1039/C0CC03075A
Windisch, A, Timin, E, Schwarz, T, Stork, D, Erker, T, Ecker, G & Hering, S 2011, 'Trapping and dissociation of propafenone derivatives in HERG channels', British Journal of Pharmacology, vol. 162, no. 7, pp. 1542-1552. https://doi.org/10.1111/j.1476-5381.2010.01159.x
Sarker, S, Weissensteiner, R, Steiner, IM, Sitte, HH, Ecker, G, Freissmuth, M & Sucic, S 2010, 'The High-Affinity Binding Site for Tricyclic Antidepressants Resides in the Outer Vestibule of the Serotonin Transporter', Molecular Pharmacology, vol. 78, no. 6, pp. 1026-1035. https://doi.org/10.1124/mol.110.067538
Klepsch, F, Stockner, T, Erker, T, Müller, M, Chiba, P & Ecker, G 2010, 'Using Structural and Mechanistic Information to Design Novel Inhibitors/Substrates of P-Glycoprotein', Current Topics in Medicinal Chemistry, vol. 10, no. 17, pp. 1769-1774. https://doi.org/10.2174/156802610792928004
Fürst, R, Nowikow, C, Berenyi, A, Ecker, GF, Schmid, W, Zupko, I & Rinner, DIU 2010, 'Synthesis and biological evaluation of novel carbocycle-containing combretastatin A-4 analogs', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 240.
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