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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 201 - 205 out of 316
Stockner, T, de Vries, SJ, Bonvin, AMJJ, Ecker, GF & Chiba, P 2009, 'Data-driven homology modelling of P-glycoprotein in the ATP-bound state indicates flexibility of the transmembrane domains', The FEBS Journal, vol. 276, no. 4, pp. 964-972. https://doi.org/10.1111/j.1742-4658.2008.06832.x
Schwaha, R & Ecker, G 2009, '2D- and 3D-similarity based classification systems for substrate prediction of ABCB1', Chemical Abstracts.
Demel, M, Janecek, A, Gansterer, W & Ecker, G 2009, 'Comparison of Contemporary Feature Selection Algorithms: Application to the Classification of ABC-Transporter Substrates', QSAR & Combinatorial Science, vol. 28, no. 10, pp. 1087-1091. https://doi.org/10.1002/qsar.200860191
Aher, Y, Stampfel, G, Demel, M, Stockner, T, Gansterer, W & Ecker, G 2009, 'Condor@Univie – a Distributed System Web Portal for Rigid & Flexible Ligand-Protein Docking', Scientia Pharmaceutica. https://doi.org/10.3797/scipharm.oephg.21.PO-01
Ecker, G, Thai, K-M, Kim, HP, Park, H & Tran, T-D 2009, 'Inhibitory activity of prostaglandine E2 production by the synthetic 2'-hydroxychalcone analogues: Synthesis and SAR study', Bioorganic & Medicinal Chemistry Letters, vol. 19, pp. 1650-1653.
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