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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 96 - 100 out of 312
Sanz, F, Carriõ, P, Lõpez, O, Capoferri, L, Kooi, DP, Vermeulen, NPE, Geerke, DP, Montanari, F, Ecker, GF, Schwab, CH, Kleinöder, T, Magdziarz, T & Pastor, M 2015, 'Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project', Molecular Informatics, vol. 34, no. 6-7, pp. 477-484. https://doi.org/10.1002/minf.201400193
Vogensen, SB, Lars, J, Madsen, KK, Jurik, A, Borkar, N, Rosatelli, E, Nielsen, B, Ecker, G, Schousboe, A & Clausen, RP 2015, 'Structure Activity Relationship of selective GABA uptake inhibitors', Bioorganic & Medicinal Chemistry, vol. 23, no. 10, pp. 2480-2488. https://doi.org/10.1016/j.bmc.2015.03.060
Saha, K, Partilla, JS, Lehner, KR, Seddik, A, Stockner, T, Holy, M, Sandtner, W, Ecker, GF, Sitte, HH & Baumann, MH 2015, ''Second Generation' Mephedrone Analogs, 4-MEC and 4-MePPP, Differentially Affect Monoamine Transporter Function', Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, vol. 40, no. 6, pp. 1321-1331. https://doi.org/10.1038/npp.2014.325
Hellsberg, E, Montanari, F & Ecker, GF 2015, 'The ABC of Phytohormone Translocation', Planta Medica: natural products and medicinal plant research, vol. 81, no. 6, pp. 474-487. https://doi.org/10.1055/s-0035-1545880
Jurik, A, Zdrazil, B, Holy, M, Stockner, T, Sitte, HH & Ecker, G 2015, 'A Binding Mode Hypothesis of Tiagabine Confirms Liothyronine Effect on γ-Aminobutyric Acid Transporter 1 (GAT1)', Journal of Medicinal Chemistry, vol. 58, no. 5, pp. 2149-2158. https://doi.org/10.1021/jm5015428
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