My recent research interest involves both CG method development and applications of CG simulation to a variety of biological systems. The goal is to investigate complex biomolecular systems by methods that combine modern statistical mechanics and state-of-art supercomputing hardware and software. The methodology work focuses on developing computational methods to incorporate available experimental information, such as those from X-ray crystallography or solution NMR, in physics-based modeling. The applications of CG modeling include studies on (a) membrane-peptide and membrane-protein interactions and structures; (b) large conformational change of proteins and other biomacromolecules; (c) protein-protein and protein-DNA interactions.
