Interplay among folding, binding, and allostery of proteins

Abstract

Despite some new discovery of protein dynamics such as the intrinsically disordered proteins, molecular dynamics for each of folding, binding, and allostery of proteins is well studied, at least for traditional proteins. However, the interplay among these three, which is quite common in nature though, has not been described as thoroughly as for isolated processes yet. This review concentrates on the recent progress in molecular dynamics (MD) simulation of this interplay mechanism, where a computational model is constructed and proved valid. However, complete experimental study is not yet implemented studying detailed interaction in molecular dynamics.