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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 156 - 160 out of 314
Williams, AJ, Harland, L, Groth, P, Pettifer, S, Chichester, C, Willighagen, EL, Evelo, CT, Blomberg, N, Ecker, G, Goble, C & Mons, B 2012, 'Open PHACTS: semantic interoperability for drug discovery.', Drug Discovery Today, vol. 17, no. 21-22, pp. 1188-1198. https://doi.org/10.1016/j.drudis.2012.05.016
Singhuber, J, Baburin, I, Ecker, GF, Kopp, B & Hering, S 2011, 'Insights into structure-activity relationship of GABA(A) receptor modulating coumarins and furanocoumarins', European Journal of Pharmacology, vol. 668, no. 1-2, pp. 57-64. https://doi.org/10.1016/j.ejphar.2011.06.034
Digles, D & Ecker, GF 2011, 'Self-Organizing Maps for In Silico Screening and Data Visualization', Molecular Informatics, vol. 30, no. 10, pp. 838-846. https://doi.org/10.1002/minf.201100082
Malle, E, Zhou, H, Neuhold, J, Spitzenberger, B, Klepsch, F, Pollak, T, Bergner, O, Ecker, GF & Stolt-Bergner, PC 2011, 'Random Mutagenesis of the Prokaryotic Peptide Transporter YdgR Identifies Potential Periplasmic Gating Residues', Journal of Biological Chemistry, vol. 286, no. 26, pp. 23121-23131. https://doi.org/10.1074/jbc.M111.239657
Schwaha, R & Ecker, G 2011, 'Use of shape similarities for classification of P-glycoprotein substrates and non-substrates.', Future Medicinal Chemistry, vol. 3, no. 9, pp. 1117-1128. https://doi.org/10.4155/FMC.11.58
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