Dr. Oliver Koch

Independent Group Leader
Computational Medicinal Chemistry and Molecular Design

Institute of Pharmaceutical and Medicinal Chemistry
Corrensstr. 48
48149 Münster

Tel.: +49 (0)251 - 83-33443
Fax: +49 (0)251 - 83-32144

E-Mail: Oliver.Koch [at] uni-muenster.de


My research interests lie in the development and application of computational methods for the rational molecular design of new bioactive compounds. In an interdisciplinary way, the in-silico work is combined with biochemical evaluation for the identification and optimisation of promising molecules and the evaluation of newly developed methods. Here, the focus is on proteins for targeting infectious diseases. The range of applied computational methods includes well-known structure- and ligand-based methods such as docking, pharmacophore-searches and virtual screening, homology modelling, quantitative structure activity relationships and molecular dynamics simulation for a detailed characterization of protein structures. The new developed methods and approaches focus on the analysis of protein-ligand interactions and the underlying framework, and how to use the available amount of ‘big’ bioactivity data and protein structures for computational molecular design and optimisation.

Publications and further information

Please use the following link for my publication list and a short overview about my CV.