中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Discriminating trpzip2 and trpzip4 peptides' folding landscape using the two-dimensional infrared spectroscopy: A simulation study
作者: Wu, Tianmin1;  Zhang, Ruiting1;  Li, Huanhuan1;  Yang, Lijiang2;  Zhuang, Wei1
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2014-02-07
DOI: 10.1063/1.4863562
卷: 140, 期:5
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: We analyzed, based on the theoretical spectroscopic modeling, how the differences in the folding landscapes of two beta-hairpin peptides trpzip2 and trpzip4 are reflected in their thermal unfolding infrared measurements. The isotope-edited equilibrium FTIR and two dimensional infrared spectra of the two peptides were calculated, using the nonlinear exciton propagation method, at a series of temperatures. The spectra calculations were based on the configuration distributions generated using the GB(OBC) implicit solvent MD simulation and the integrated tempering sampling technique. Conformational analysis revealed the different local thermal stabilities for these two peptides, which suggested the different folding landscapes. Our study further suggested that the ellipticities of the isotope peaks in the coherent IR signals are more sensitive to these local stability differences compared with other spectral features such as the peak intensities. Our technique can thus be combined with the relevant experimental measurements to achieve a better understanding of the peptide folding behaviors. (C) 2014 AIP Publishing LLC.
关键词[WOS]: BETA-HAIRPIN PEPTIDE ;  FREE-ENERGY LANDSCAPE ;  AMIDE-I MODES ;  MOLECULAR-DYNAMICS ;  TRANSITION-STATE ;  VIBRATIONAL SPECTROSCOPY ;  CONFORMATIONAL DYNAMICS ;  FORCE-FIELDS ;  LIQUID WATER ;  PROTEINS
语种: 英语
WOS记录号: WOS:000331289200068
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145603
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China
2.Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China

Recommended Citation:
Wu, Tianmin,Zhang, Ruiting,Li, Huanhuan,et al. Discriminating trpzip2 and trpzip4 peptides' folding landscape using the two-dimensional infrared spectroscopy: A simulation study[J]. JOURNAL OF CHEMICAL PHYSICS,2014,140(5).
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Wu, Tianmin]'s Articles
 [Zhang, Ruiting]'s Articles
 [Li, Huanhuan]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Wu, Tianmin]‘s Articles
 [Zhang, Ruiting]‘s Articles
 [Li, Huanhuan]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace