The Molecular Simulation Group

News

Snehal Patel visits David van der Spoel's group at Uppsala University in March and April 2019 for her international internship in the iMOS M.Sc. program at RUB.

Olivier Fisette gives a talk at the 2019 Molecular Biophysics Meeting of the German (DGfB) and French Biophysical Society (SFB).

RUB press release about our research on ABC transporters.

Who we are and what we do

We investigate link between structure, dynamics, and function of biomolecules by means of computer simulations. To that end, we develop and apply efficient computational methods to study biomolecular systems, 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.