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

作     者：Shouqin Lu Qihan Ding Mingkun Zhang Mian Long 吕守芹;丁奇寒;张明焜;龙勉

作者机构：Center of Biomechanics and BioengineeringKey Laboratory of Microgravity(National Microgravity Laboratory)Beijing Key Laboratory of Engineered Construction and Mechanobiologyand CAS Center for Excellence in Complex System MechanicsInstitute of MechanicsChinese Academy of Sciences(CAS)Beijing 100190China School of Engineering ScienceUniversity of Chinese Academy of SciencesBeijing 101408China Chongqing Engineering Research Center of High-Resolution and 3D Dynamic Imaging TechnologyChongqing Institute of Green and Intelligent TechnologyChinese Academy of SciencesChongqing 400714China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2021年第30卷第3期

页      面：1-8页

核心收录：

学科分类：0710[理学-生物学] 071010[理学-生物化学与分子生物学] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 

基　　金：Project supported by the National Key Research and Development Program of China(Grant No.2016YFA0501601) the National Natural Science Foundation of China(Grant Nos.91642203,31627804,and 11972042) the Frontier Science Key Project of the Chinese Academy of Sciences(Grant No.QYZDJ-SSWJSC018) the Scientific Instrument Developing Project of the Chinese Academy of Sciences(Grant No.GJJSTU20190005) the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB22040101) 

主　　题：molecular dynamics simulations mechanosensitive protein allosteric dynamics integrin 

摘      要：Molecular dynamics simulation(MDS)is a powerful technology for investigating evolution dynamics of target proteins,and it is used widely in various fields from materials to *** 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 *** perspectives were also *** review could provide clues in understanding the potentiality of MD simulations in structure–function relationship investigation of biological proteins.