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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 116 - 120 out of 312
Dossetter, AG, Ecker, G, Laverty, H & Overington, J 2014, ''Big data' in pharmaceutical science: challenges and opportunities', Future Medicinal Chemistry, vol. 6, no. 8, pp. 857-864. https://doi.org/10.4155/fmc.14.45
Parveen, Z, Brunhofer, G, Jabeen, I, Erker, T, Chiba, P & Ecker, GF 2014, 'Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein', Bioorganic & Medicinal Chemistry, vol. 22, no. 7, pp. 2311-2319. https://doi.org/10.1016/j.bmc.2014.02.005
Goldmann, D, Montanari, F, Richter, L, Zdrazil, B & Ecker, GF 2014, 'Exploiting open data: a new era in pharmacoinformatics', Future Medicinal Chemistry, vol. 6, no. 5, pp. 503-514. https://doi.org/10.4155/fmc.14.13
Cakil, YD, Khunweeraphong, N, Parveen, Z, Schmid, D, Artaker, M, Ecker, GF, Sitte, HH, Pusch, O, Stockner, T & Chiba, P 2014, 'Pore-Exposed Tyrosine Residues of P-Glycoprotein Are Important Hydrogen-Bonding Partners for Drugs', Molecular Pharmacology, vol. 85, no. 3, pp. 420-428. https://doi.org/10.1124/mol.113.088526
Saxena, P, Linder, T, Stary-Weinzinger, A, IJzerman, AP, Timin, E, Ecker, GF & Hering, S 2014, 'Insights into Molecular Basis of hERG Inhibition by Studying a Library of Dofetilide Derivatives', Biophysical Journal, vol. 106, no. 2, pp. 138a. https://doi.org/10.1016/j.bpj.2013.11.806
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