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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 316
Taferner, B, Schühly, WM, Hüfner, A, Baburin, I, Wiesner, K, Ecker, G & Hering, S 2011, 'Modulation of GABAA-receptors by honokiol and derivatives: subtype selectivity and structure-activity relationship.', Journal of Medicinal Chemistry, vol. 54, no. 15, pp. 5349-5361. https://doi.org/10.1021/jm200186n
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
Activities
Showing entries 1 - 5 out of 207
AI in Drug Discovery and Toxicity Prediction
Gerhard Ecker
ARUA 2025
Conference,
Talk or oral contribution
30.10.2025 - 30.10.2025
In silico MIE Prediction
Gerhard Ecker
RISK-HUNT3R Stakeholder Symposium
Conference,
Talk or oral contribution
18.6.2025 - 18.6.2025
Prediction of Toxicity
Gerhard Ecker
CCC-Trio 2025
Conference,
Talk or oral contribution
12.6.2025 - 12.6.2025
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