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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 106 - 110 out of 314
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
Neudorfer, C, Shanab, K, Jurik, A, Schreiber, V, Neudorfer, C, Vraka, C, Schirmer, E, Holzer, W, Ecker, G, Mitterhauser, M, Wadsak, W & Spreitzer, H 2014, 'Development of potential selective and reversible pyrazoline based MAO-B inhibitors as MAO-B PET tracer precursors and reference substances for the early detection of Alzheimer's disease', Bioorganic & Medicinal Chemistry Letters, vol. 24, no. 18, pp. 4490-4495. https://doi.org/10.1016/j.bmcl.2014.07.085
Michl, J, Scharinger, C, Zauner, M, Kasper, S, Freissmuth, M, Sitte, HH, Ecker, GF & Pezawas, L 2014, 'A multivariate approach linking reported side effects of clinical antidepressant and antipsychotic trials to in vitro binding affinities', European Neuropsychopharmacology, vol. 24, no. 9, pp. 1463-1474. https://doi.org/10.1016/j.euroneuro.2014.06.013
Schöffmann, A, Wimmer, L, Goldmann, D, Khom, S, Hintersteiner, J, Baburin, I, Schwarz, T, Hintersteininger, M, Pakfeifer, P, Oufir, M, Hamburger, M, Erker, T, Ecker, GF, Mihovilovic, MD & Hering, S 2014, 'Efficient modulation of γ-aminobutyric acid type A receptors by piperine derivatives', Journal of Medicinal Chemistry, vol. 57, no. 13, pp. 5602-5619. https://doi.org/10.1021/jm5002277
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