The MD group, headed by Prof. S.J. Marrink, is embedded in the GBB Institute and affiliated with the Zernike Instute, and participates in the Berendsen Center for Multiscale Modeling and Material Design. Using a computational approach, the group simulates the dynamics of (bio)molecular processes. The aim is to understand and predict macroscopic behaviour of complex systems on the basis of the effective interactions between atoms.
The MD group concentrates both on development and large scale applications of state-of-the-art multiscale modeling tools, and is home to the MARTINI coarse grain forcefield for biomolecular simulations, Furthermore, the origins of the GROMACS and GROMOS software suites are found in this group.