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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 246 - 250 out of 312
Ecker, G, Chiba, P, Mestres, J & Sanz, F 2006, 'Molecular similarity values as input vectors for QSAR studies of ABCB1 inhibitors', Drugs of the Future, vol. 31, no. Suppl A.
Ecker, G & Chiba, P 2006, 'MsbA from Salmonella typhimurium as template for a protein homology model of post-hydrolytic P-glycoprotein', Scientia Pharmaceutica, vol. 74, no. 2.
Chiba, P & Ecker, G 2006, 'Predictive models for prediction of P-glycoprotein substrates based on VSA-descriptors', Unknown Journal, no. MEDI.
Holzer, W, Ecker, G & Chiba, P 2006, 'P_VSA-descriptors: a proper tool to predict P-glycoprotein inhibitor activity', Scientia Pharmaceutica, vol. 74.
Chiba, P, Mihalek, I, Ecker, G, Kopp, S & Lichtarge, O 2006, 'Role of transmembrane domain/transmembrane domain interfaces of P-glycoprotein (ABCB1) in solute transport. Convergent information from photoaffinity labeling, site directed mutagenesis and in Silico importante prediction', Current Medicinal Chemistry, vol. 13, no. 7, pp. 793-805. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-33645991819&partner@&rel=R5.0.4>
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