The Molecular Simulation Group


Falk Hoffmann wins the Biophysical Journal Outstanding Poster Award at the 2017 Berlin thematic meeting of the Biophysical Society.

Katrin Reichel handed in her PhD thesis and will have her defense soon.

Sebastian Wingbermühle receives a Chemiefonds PhD fellowship from the Fonds der Chemischen Industrie (FCI).

Our recent work on membrane protein hydration is featured in Philip Ball's water in biology blog.

Who we are and what we do

We investigate link between structure, dynamics, and function of biological macromolecules by means of computer simulations. To that end, we develop and apply efficient computational methods to study biomolecular systems at the atomistic and coarse-grained level, mostly using classical molecular dynamics (MD) type simulations. Click on the top images for more information on current research projects.

We are located at the Center for Theoretical Chemistry at Ruhr-University Bochum. Our group is integrated into the RESOLV cluster of excellence, see SolvationScience@RUB. In addition, we collaborate with Boehringer Ingelheim GmbH & Co. KG on pharmacologically relevant targets.

Go here for previous research projects (no longer maintained).