Mutation induced structural variation in membrane proteins

doi:10.1007/s40242-013-2427-x

CORC > 化学研究所 > 中国科学院化学研究所

	Mutation induced structural variation in membrane proteins
	Duan Xiao-zheng 1; Li Yun-qi 2; Shi Tong-fei 1; Huang Qing-rong 2; An Li-jia 1
刊名	CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
	2013-10-01
卷号	29 期号:5 页码:1016-1021
关键词	Distance-scaled Finite Ideal-gas Reference(Dfire) Hybrid Function Membrane Protein Mutation Replica Exchange Monte Carlo
ISSN号	1005-9040
DOI	10.1007/s40242-013-2427-x
英文摘要	Point mutations on membrane proteins may lead to small structural variations. Prediction of such structural variations can help to further understand the related bio-activities of membrane proteins. We constructed fifteen hybrid energy functions on the basis of Chemistry at Harvard Macromolecular Mechanics(CHARMM) force field, hydrogen bonding potential and distance-scaled, finite ideal-gas reference(DFIRE)-like statistical energies, and evaluated their performance on a representative dataset of homologous membrane proteins via a newly developed all-atom replica exchange Monte Carlo algorithm. The energy function composed of CHARMM and hydrogen bonding potential has the best performance, and the original DFIRE potential shows much better performance than the DFIRE-like potentials constructed from membrane proteins. We can conclude that more membrane protein structures with high resolution are necessary for the construction of robust prediction method of mutation induced membrane protein structure variations.
语种	英语
出版者	HIGHER EDUCATION PRESS
WOS记录号	WOS:000325359400037
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/46351]
专题	中国科学院化学研究所
通讯作者	Shi Tong-fei
作者单位	1.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China 2.Rutgers State Univ, Dept Food Sci, New Brunswick, NJ 08901 USA
推荐引用方式 GB/T 7714	Duan Xiao-zheng,Li Yun-qi,Shi Tong-fei,et al. Mutation induced structural variation in membrane proteins[J]. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2013,29(5):1016-1021.
APA	Duan Xiao-zheng,Li Yun-qi,Shi Tong-fei,Huang Qing-rong,&An Li-jia.(2013).Mutation induced structural variation in membrane proteins.CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,29(5),1016-1021.
MLA	Duan Xiao-zheng,et al."Mutation induced structural variation in membrane proteins".CHEMICAL RESEARCH IN CHINESE UNIVERSITIES 29.5(2013):1016-1021.