Protein folding dynamics study for protein-protein interactions

Protein folding is useful and challenging problem in structural biology. Molecular dynamics (MD) and simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics and structure-stability-function relationship. It was also used to help engineering and designing new proteins, and to answer even more general questions for target validation, such as the evolution principle of protein families. MD simulation is still undergoing rapid developments. The first trend is to toward developing new coarse-grained models and studying larger and more complex molecular systems such as protein-protein complex and their assembling process, and structure; the second trend is toward building high resolution protein models and explore more detailed and accurate pictures of protein folding and the associated processes. Keywords- Protein folding, Molecular dynamics, Protein Quality Control, protein-protein interactions