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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 314
Cakil, YD, Khunweeraphong, N, Parveen, Z, Schmid, D, Artaker, M, Ecker, GF, Sitte, HH, Pusch, O, Stockner, T & Chiba, P 2014, 'Pore-Exposed Tyrosine Residues of P-Glycoprotein Are Important Hydrogen-Bonding Partners for Drugs', Molecular Pharmacology, vol. 85, no. 3, pp. 420-428. https://doi.org/10.1124/mol.113.088526
Saxena, P, Linder, T, Stary-Weinzinger, A, IJzerman, AP, Timin, E, Ecker, GF & Hering, S 2014, 'Insights into Molecular Basis of hERG Inhibition by Studying a Library of Dofetilide Derivatives', Biophysical Journal, vol. 106, no. 2, pp. 138a. https://doi.org/10.1016/j.bpj.2013.11.806
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
Activities
Showing entries 1 - 5 out of 205
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
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