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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 211 - 215 out of 312
Ecker, GF, Schwaha, R, Demel, M & Chiba, P 2008, 'MEDI 161-Pharmacoinformatic approaches to Target P-glycoprotein: From inhibitor design to substrate prediction', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 235.
Ecker, GF, Stockner, T & Chiba, P 2008, 'Computational models for prediction of interactions with ABC-transporters', Drug Discovery Today, vol. 13, no. 7-8, pp. 311-317. https://doi.org/10.1016/j.drudis.2007.12.012
König, G, Chiba, P & Ecker, G 2008, 'Hydrophobic moments as physicochemical descriptors in structure-activity relationship studies of P-glycoprotein inhibitors', Monatshefte für Chemie, vol. 139, no. 4, pp. 401-405. https://doi.org/10.1007/s00706-007-0819-7
Ecker, G & Thai, KM 2008, 'A binary QSAR model for classification of hERG potassium channel blockers', Bioorganic & Medicinal Chemistry, vol. 16, no. 16, pp. 4107-4119.
Digles, D, Dirsch, V & Ecker, G 2008, 'Classification of insulin receptor activators with self-organizing maps', Drugs of the Future, vol. 33, no. Suppl. A.
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