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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.

Contact Hours for Students

  • Wednesday 14:00 - 15:00
  • Room 2E405 (or online) 
  • only after appointment via E-Mail latest on Friday before
Publications

Schuetz, DA, Richter, L, Amaral, M, Grandits, M, Graedler, U, Musil, D, Buchstaller, H-P, Eggenweiler, H-M, Frech, M & Ecker, GF 2018, 'Ligand Desolvation steers on-rate and impacts Drug Residence Time of Heat shock protein 90 (Hsp90) Inhibitors', Journal of Medicinal Chemistry, vol. 61, no. 10, pp. 4397–4411. https://doi.org/10.1021/acs.jmedchem.8b00080

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