Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand

CORC > 上海有机化学研究所 > 中国科学院上海有机化学研究所 > 上海有机化学研究所

	Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand
	Zhang T(张涛) ; Shi LW(史良伟) ; Zhou JH(周俊红) ; Zhu RX(朱瑞新) ; Chen MB(陈敏伯)
刊名	Proteins
	2008
卷号	70 期号:4 页码:1527-1539
ISSN号	0887-3585
其他题名	Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand
通讯作者	陈敏伯
英文摘要	The liver receptor homolog-1 (LRH-1) is an important transcriptional factor in the process of cholesterol and bile acids metabolism. In this article, molecular dynamics simulation for six systems with total 60 ns is employed to study LRH-1. LRH-1/phospholipid and LRH-1/SHP (fragments) interactions are analyzed by counting atomic contact number, identifying hydrogen bonds, and estimating binding free energies (by MM-PB/SA and N-mode analysis). Through integrating our modeling result with previous experimental data, deeper understandings to LRH-1/SHP interaction are obtained, and functions Of the phospholipid ligand in LRH-1 are proposed.
学科主题	计算机化学与化学信息学
收录类别	SCI
原文出处	http://dx.doi.org/10.1002/prot.21661
语种	英语
WOS记录号	WOS:000253567400040
公开日期	2013-08-14
内容类型	期刊论文
源URL	[http://202.127.28.38/handle/331003/27725]
专题	上海有机化学研究所_上海有机化学研究所
推荐引用方式 GB/T 7714	Zhang T,Shi LW,Zhou JH,et al. Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand[J]. Proteins,2008,70(4):1527-1539.
APA	张涛,史良伟,周俊红,朱瑞新,&陈敏伯.(2008).Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand.Proteins,70(4),1527-1539.
MLA	张涛,et al."Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand".Proteins 70.4(2008):1527-1539.