The Molecular Simulation Group


OPEN PHD POSITION within DFG-funded Research Training Group "Confinement-Controlled Chemistry". Application deadline is March 31, 2018.

Katrin Reichel successfully completed her doctorate and will continue her work as a postdoc in the Theoretical Biophysics department at the Max-Planck-Institute of Biophysics.

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

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

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Go here for previous research projects (no longer maintained).