Computational biophysics is about studying a biological event (under a given set of environmental conditions) using a model for the event and computer algorithms. In principle, if we have a valid model and can sample all the statistically possible events, we can accurately predict the outcome. But, in practice, it is an enormous task to build an atomic-detailed model and to ensure exhaustive sampling of all the possible outcomes of an event. To make the problem tractable, we either build a model at a lower resolution or choose a set of reduced coordinates and use many independent short simulations to sample events locally. Then we employ statistical tools to extract the essential dynamical information from the simulation data. 

Our group at Department of Physics & Astronomy, NIT Rourkela is involved in the development and application of biomolecular simulation methods with a focus on macromolecular crowding in living cells.

Follow this link for an introduction to biomolecular simulations.