The Molecular Simulation Group

News

Supplementary cover of our recent joint JACS paper with the Linser group at TU Dortmund.

Hendrik Göddeke and Christopher Päslack successfully defended their PhD theses. Congratulations, Dr. Göddeke and Dr. Päslack!!

Press release on our ABC transporter research.

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.