Multi-scale molecular dynamics simulations and applications on mechanosensitive proteins of integrins

• 来源期刊: 中国物理B（英文版）
• 年，卷（期）: 2021,（3）
• 所属期刊栏目: TOPICAL REVIEW - Modeling and simulations for the structures and functions of proteins and nucleic acids
• 页码范围: 前插1,1-8
• 页数: 2页
• 语种: 英文
• DOI: 10.1088/1674-1056/abc540

摘要

Molecular dynamics simulation(MDS)is a powerful technology for investigating evolution dynamics of target pro-teins,and it is used widely in various fields from materials to biology.This mini-review introduced the principles,main preforming procedures,and advances of MDS,as well as its applications on the studies of conformational and allosteric dynamics of proteins especially on that of the mechanosensitive integrins.Future perspectives were also proposed.This review could provide clues in understanding the potentiality of MD simulations in structure-function relationship investi-gation of biological proteins.