中国科学院重庆绿色智能技术研究院机构知识库

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	Multi-scale molecular dynamics simulations and applications on mechanosensitive proteins of integrins*
	Lu, Shouqin1,2,3; Ding, Qihan1,2,3; Zhang, Mingkun1,2,3,4; Long, Mian1,2,3
	2021-03-01
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 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 investigation of biological proteins.
关键词	molecular dynamics simulations mechanosensitive protein allosteric dynamics integrin
DOI	10.1088/1674-1056/abc540
发表期刊	CHINESE PHYSICS B
ISSN	1674-1056
卷号	30期号:3页码:8
通讯作者	Long, Mian(mlong@imech.ac.cn)
收录类别	SCI
WOS记录号	WOS:000630459500001
语种	英语