The Molecular Simulation Group

News

RUB press release about our research on ABC transporters.

OPEN PHD POSITION within DFG-funded Research Training Group "Confinement-Controlled Chemistry". Application deadline was extended to July 25.

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 cluster of excellence RESOLV. In addition, we collaborate with Boehringer Ingelheim GmbH & Co. KG on pharmacologically relevant targets.


groupfoto

The Molecular Simulation group in December 2017. Back (from left): Srinivasa Gopal, Falk Hoffmann, Sebastian Wingbermühle, Selina Juber. Front: Hendrik Göddeke, Lars Schäfer, Olivier Fisette, Katrin Reichel, Christopher Päslack.