Follow me on Twitter
I agree that content from Twitter will be displayed to me.
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 166 - 170 out of 312
Singhuber, J, Baburin, I, Ecker, G, Kopp, B & Hering, S 2011, 'Insights into structure-activity relationship of GABAA receptor modulating coumarins and furanocoumarins.', European Journal of Pharmacology, vol. 668, no. 1-2, pp. 57-64.
Blomberg, N, Ecker, G, Kidd, R, Mons, B & Williams-Jones, B 2011, 'Knowledge Driven Drug Discovery goes Semantic', MedChemComm, vol. 2, no. 8, pp. 72-76.
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
Activities
Showing entries 1 - 5 out of 202
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
Hypothesis generation for variant effects using a KNIME workflow for automatic mapping of disease-related mutations onto 3D protein structures
Jiahui Huang
,
Claire Colas
,
Gerhard Ecker
ACS Fall 2022
Conference,
Poster presentation
21.8.2022 - 21.8.2022