Simulation of biomolecular systems offers an enhanced insight into biological phenomena at the atomic level, which is often of limited accessibility to experimental probes. Our major research interest is in the application of computational chemistry methodologies with the aim of understanding biomolecular processes and to interpret experimental observations. Our current research work deals with development and validation of classical parameter sets for molecular simulations at a multiscale level and atomistic simulations of soft matter with emphasis on biological membranes.

September 2019
August 2019
June 2018