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学科主题: 计算机化学与化学信息学
题名: Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand
其他题名: Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand
作者: Zhang T(张涛) ; Shi LW(史良伟) ; Zhou JH(周俊红) ; Zhu RX(朱瑞新) ; Chen MB(陈敏伯)
通讯作者: 陈敏伯
刊名: Proteins
发表日期: 2008
卷: 70, 期:4, 页:1527-1539
收录类别: SCI
部门归属: 上海有机所; 华东理工大学
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.
语种: 英语
相关网址: 查看原文
WOS记录号: WOS:000253567400040
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内容类型: 期刊论文
URI标识: http://ir.sioc.ac.cn/handle/331003/27725
Appears in Collections:上海有机化学研究所_期刊论文

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Recommended Citation:
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.
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