Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins - A Combined Molecular Dynamics and NMR study

doi:10.1021/jp111448a

CORC > 化学研究所 > 中国科学院化学研究所

	Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins - A Combined Molecular Dynamics and NMR study
	Hwang, Soyoun 1; Shao, Qiang 2; Williams, Howard 1; Hilty, Christian 1; Gao, Yi Qin 2
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	2011-05-26
卷号	115 期号:20 页码:6653-6660
ISSN号	1520-6106
DOI	10.1021/jp111448a
英文摘要	A combined simulation and experimental study was performed to investigate how methanol affects the structure of a model peptide BBA5. BBA5 forms a stable beta-hairpin-alpha-helix structure in aqueous solutions. Molecular dynamics simulations were performed in water and methanol/water solutions using all-atom explicit models. NMR experiments were used to test the calculated results. The combined theoretical and experimental studies suggest that methanol strengthens the interactions between the polar backbone of the peptide and thus enhances the secondary structure formation; at the same time methanol weakens the hydrophobic interactions and results in an expansion of the hydrophobic core and an increase in gyration.
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000290652100029
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/73615]
专题	中国科学院化学研究所
通讯作者	Hilty, Christian
作者单位	1.Texas A&M Univ, Dept Chem, Ctr Biol NMR, College Stn, TX 77843 USA 2.Peking Univ, Beijing Natl Lab Mol Sci, Coll Chem & Mol Engn, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	Hwang, Soyoun,Shao, Qiang,Williams, Howard,et al. Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins - A Combined Molecular Dynamics and NMR study[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2011,115(20):6653-6660.
APA	Hwang, Soyoun,Shao, Qiang,Williams, Howard,Hilty, Christian,&Gao, Yi Qin.(2011).Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins - A Combined Molecular Dynamics and NMR study.JOURNAL OF PHYSICAL CHEMISTRY B,115(20),6653-6660.
MLA	Hwang, Soyoun,et al."Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins - A Combined Molecular Dynamics and NMR study".JOURNAL OF PHYSICAL CHEMISTRY B 115.20(2011):6653-6660.