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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 101 - 105 out of 312
Goldmann, D, Pakfeifer, P, Hering, S & Ecker, GF 2015, 'Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening', Future Medicinal Chemistry, vol. 7, no. 3, pp. 243-256. https://doi.org/10.4155/fmc.14.168
Chiba, P, Ecker, GF, Nasim, F & Dönmez-Cakil, Y 2015, Interaction of ABC Transporters with drugs. in A George (ed.), ABC Transporters - 40 Years on. Springer International Publishing Switzerland, Cham, pp. 135-151. https://doi.org/10.1007/978-3-319-23476-2_7
Neudorfer, C, Seddik, A, Shanab, K, Jurik, A, Rami-Mark, C, Holzer, W, Ecker, G, Mitterhauser, M, Wadsak, W & Spreitzer, H 2015, 'Synthesis and in Silico Evaluation of Novel Compounds for PET-Based Investigations of the Norepinephrine Transporter', Molecules, vol. 20, no. 1, pp. 1712-1730. https://doi.org/10.3390/molecules20011712
Baumann, K, Ecker, GF, Mestres, J & Schneider, G 2015, 'Systems Approaches and Big Data in Molecular Informatics', Molecular Informatics, vol. 34, no. 1, pp. 2-2. https://doi.org/10.1002/minf.201580131
Ratnam, J, Zdrazil, B, Digles, D, Cuadrado-Rodriguez, E, Neefs, J-M, Tipney, H, Siebes, R, Waagmeester, A, Bradley, G, Chau, CH, Richter, L, Brea, J, Evelo, CT, Jacoby, E, Senger, S, Loza, MI, Ecker, GF & Chichester, C 2014, 'The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research', PLoS ONE, vol. 9, no. 12, e115460. https://doi.org/10.1371/journal.pone.0115460
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