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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 46 - 50 out of 307
Zdrazil, B, Hellsberg, E, Viereck, M & Ecker, GF 2019, 'Correction: From linked open data to molecular interaction: Studying selectivity trends for ligands of the human serotonin and dopamine transporter (MedChemComm (2016) 7 (1819-1831) DOI: 10.1039/c6md00207b)', MedChemComm, vol. 10, no. 7, pp. 1212-1213. https://doi.org/10.1039/c9md90031d
Jain, S & Ecker, GF 2019, In silico approaches to predict drug-transporter interaction profiles: Data mining, model generation, and link to cholestasis. in Methods in Molecular Biology. Humana Press, Inc., Methods in Molecular Biology, vol. 1981, pp. 383-396. https://doi.org/10.1007/978-1-4939-9420-5_26
Kickinger, S, Hellsberg, E, Jain, S & Ecker, GF 2019, Linked open data: Ligand-transporter interaction profiling and beyond. in Methods in Pharmacology and Toxicology. Humana Press, Inc., Methods in Pharmacology and Toxicology, pp. 405-417. https://doi.org/10.1007/7653_2018_13
Singh, N, Scalise, M, Galluccio, M, Wieder, M, Seidel, T, Langer, T, Indiveri, C & Ecker, GF 2019, 'Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods', International Journal of Molecular Sciences, vol. 20, no. 1, 27. https://doi.org/10.3390/ijms20010027
Gomez-Tamayo, JC, Troger, F, Pastor, M, Norinder, U, Zdrazil, B & Ecker, G 2018, 'Ligand based and structural based modeling for the understanding, classification and prediction ofmitochondrial toxicity', Toxicology Letters, vol. 295, no. Suppl. 1, pp. S96-S96. https://doi.org/10.1016/j.toxlet.2018.06.596
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