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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 121 - 125 out of 312
Venkatesan, S, Sohail, A, Saha, K, Ecker, G, Stockner, T, Sandtner, W & Sitte, H 2014, 'The Aspartate Transporter in Motion - Combining Steered Molecular Dynamics with Lanthanide Resonance Energy Transfer based Distance Measurements', Biophysical Journal, vol. 106, no. 2, pp. 366A-366A.
Sohail, A, Kudlacek, O, Daerr, M, Stolt-Bergner, P, Ecker, G, Freissmuth, M, Wanner, K, Stockner, T, Sandtner, W & Sitte, H 2014, 'Unfolding the Structure of LeuT Employing Luminescence Resonance Energy Transfer', Biophysical Journal, vol. 106, no. 2, pp. 289A-289A.
Klepsch, F, Poongavanam, V & Ecker, GF 2014, 'Ligand and Structure-Based Classification Models for Prediction of P-Glycoprotein Inhibitors', Journal of Chemical Information and Modeling, vol. 54, no. 1, pp. 218-229. https://doi.org/10.1021/ci400289j
Baumann, K, Ecker, GF, Mestres, J & Schneider, G 2014, 'Molecular Informatics Going "Fully Online"', Molecular Informatics, vol. 33, no. 1, pp. 2-2. https://doi.org/10.1002/minf.201480131
Saxena, P, Linder, T, Weinzinger, A, Timin, E, Ecker, GF & Hering, S 2013, 'Refined Molecular Model for Dofetilide-Herg Channel interaction', Indian Journal of Pharmacology, vol. 45, pp. S32-S32.
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