Conformational transition pathway of calmodulin

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	Conformational transition pathway of calmodulin
	Yang, Kun 1; Zhang, Jian 2; Jiang, Hua-Liang2 ; Zhu, Wei-Liang2 ; Wang, Xi-Cheng 1
刊名	Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology
	2009-07
卷号	49 期号:4 页码:499-505
ISSN号	10008608
文献子类	Article
英文摘要	The effects of antagonist on the conformational transition and global conformational transition pathway of calmodulin (CaM) are investigated by means of two different conformations of open and closed states. The molecular dynamics method is firstly used to simulate conformational transitions of the calmodulins with and without an antagonist bound. The results show that CaM without antagonist tends to open from its closed state and cause allosteric interaction. And CaM with antagonist tends to keep in closed state, which is conducive to control the activities of some kinases and phosphatases. A global conformational transition between open and closed states is simulated by using targeted molecular dynamics (TMD), and a conformational transition pathway and four possible intermediate states are obtained.
语种	中文
CSCD记录号	CSCD:3786752
出版者	Dalian University of Technology
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/266985]
专题	药物发现与设计中心
通讯作者	Wang, Xi-Cheng
作者单位	1.State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024, China; 2.State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China
推荐引用方式 GB/T 7714	Yang, Kun,Zhang, Jian,Jiang, Hua-Liang,et al. Conformational transition pathway of calmodulin[J]. Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology,2009,49(4):499-505.
APA	Yang, Kun,Zhang, Jian,Jiang, Hua-Liang,Zhu, Wei-Liang,&Wang, Xi-Cheng.(2009).Conformational transition pathway of calmodulin.Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology,49(4),499-505.
MLA	Yang, Kun,et al."Conformational transition pathway of calmodulin".Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology 49.4(2009):499-505.