My research area
focuses on statistical mechanics of biological macromoleculese. e.g, proteins,
nucleic acids, membranes, and drugs. A major effort has been on the development
and application of computer models and simulation methods for molecular
systems. Particular research problems include study of atomic mobility
in proteins and membranes by molecular dynamics and Monte Carlo computer
simulations; quantitative modeling of recognition and binding in ligand-receptor
systems with solvation effects; development of methods for computing free
energy change efficiently in solution phase processes; calculation of
diffusion constants and diffusion encounter rates of rigid and flexible
molecules in solution and onto biomembranes by Brownian dynamics simulations;
modeling of subcellular and cellular processes, including signal transduction,
gene expression, and cytoskeletal dynamics. |
