论文部分内容阅读
During protein folding,protein undergoes large conformational change.Its electronic structure is very conformation-dependent.Fixed atomic charges may not be always accurate for the whole folding trajectory.Thus,the atomic charges need to vary with the conformation of protein.In this presentation,I will introduce our recent works1-3 in which charge variation scheme is employed to study the effects of sequence mutation and the influence of environment on protein folding.