The Heidelberg Institute for Theoretical Studies (HITS) was established in January 2010. It is a successor to the EML Research Group gGmbH, whose scientific agenda HITS will continue on a broader basis with more research groups, which reflects the interdisciplinary and cooperative approach of the institute. HITS focuses on the development of new theoretical approaches towards interpreting the rapidly increasing amounts of experimental data. Simulation and data mining are subsumed under our notion of “theory”. In general, the focus lies on basic research in cooperation with partners from other research institutions and from industry in long-term, challenging projects with a high potential. Two out of six groups are engaged in molecular dynamics. The group Molecular Biomechanics investigates forces that apply or can be applied to the proteins in a cell, while the Molecular and Cellular Modelling group works on the simulation of biomolecular interactions. Both groups contribute to the general understanding of cellular reactions and hence to the possibility to specifically alter them.