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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 116 - 120 out of 316
Viereck, M, Gaulton, A, Digles, D & Ecker, GF 2014, 'Transporter taxonomy - a comparison of different transport protein classification schemes', Drug Discovery Today: Technologies, vol. 12, pp. e37-e46. https://doi.org/10.1016/j.ddtec.2014.03.004
Carrió, P, Pinto, M, Ecker, G, Sanz, F & Pastor, M 2014, 'Applicability Domain ANalysis (ADAN): a robust method for assessing the reliability of drug property predictions', Journal of Chemical Information and Modeling, vol. 54, no. 5, pp. 1500-1511. https://doi.org/10.1021/ci500172z
Montanari, F & Ecker, G 2014, 'BCRP Inhibition: from Data Collection to Ligand-Based Modeling', Molecular Informatics, vol. 33, no. 5, pp. 322-331. https://doi.org/10.1002/minf.201400012
Dossetter, AG, Ecker, G, Laverty, H & Overington, J 2014, ''Big data' in pharmaceutical science: challenges and opportunities', Future Medicinal Chemistry, vol. 6, no. 8, pp. 857-864. https://doi.org/10.4155/fmc.14.45
Parveen, Z, Brunhofer, G, Jabeen, I, Erker, T, Chiba, P & Ecker, GF 2014, 'Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein', Bioorganic & Medicinal Chemistry, vol. 22, no. 7, pp. 2311-2319. https://doi.org/10.1016/j.bmc.2014.02.005
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