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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 151 - 155 out of 316
Jabeen, I, Pleban, K, Rinner, U, Chiba, P & Ecker, GF 2012, 'Structure–Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-Glycoprotein.', Journal of Medicinal Chemistry, vol. 55, no. 7, pp. 3261-3273. https://doi.org/10.1021/jm201705f
Klepsch, F, Prokes, K, Parveen, Z, Chiba, P & Ecker, G 2012, 'Structure based pharmacophore screening for new P-gp inhibitors', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 243.
Sitte, H, Schicker, K, Bulling, S, Hamilton, PJ, Stuebiger, G, Matthies, HJ, Galli, A, Ecker, GF, Bochkov, V, Boehm, S & Buchmayer, F 2012, 'Amphetamine Actions Rely on the Availability of Phosphatidylinositol-4,5-Bisphosphate', Biophysical Journal, vol. 102, no. 3, Suppl. 1, pp. 19a. https://doi.org/10.1016/j.bpj.2011.11.126
Baumann, K, Ecker, GF, Mestres, J & Schneider, G 2012, 'Molecular Informatics - A Leading Discipline in a Complex Emerging Field', Molecular Informatics, vol. 31, no. 1, pp. 3-3. https://doi.org/10.1002/minf.201290001
Pinto, M, Trauner, M & Ecker, G 2012, 'An In Silico Classification Model for Putative ABCC2 Substrates.', Molecular Informatics, vol. 31, no. 8, pp. 547-553. https://doi.org/10.1002/minf.201200049
Activities
Showing entries 1 - 5 out of 207
AI in Drug Discovery and Toxicity Prediction
Gerhard Ecker
ARUA 2025
Conference,
Talk or oral contribution
30.10.2025 - 30.10.2025
In silico MIE Prediction
Gerhard Ecker
RISK-HUNT3R Stakeholder Symposium
Conference,
Talk or oral contribution
18.6.2025 - 18.6.2025
Prediction of Toxicity
Gerhard Ecker
CCC-Trio 2025
Conference,
Talk or oral contribution
12.6.2025 - 12.6.2025
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