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题名:
Conformational flexibility of PPII-helix: A density functional theory study
作者: Guo, P; Lei, XL; Gao, Y
刊名: CHEMICAL PHYSICS LETTERS
出版日期: 2016
卷号: 651, 期号:-, 页码:109—113
关键词: POLYPROLINE-II HELIX ; MOLECULAR-DYNAMICS SIMULATIONS ; RAMAN OPTICAL-ACTIVITY ; PROTEIN-STRUCTURE ; CARBONYL GROUPS ; HYDROGEN-BONDS ; ALPHA-HELICES ; PROLINE ; STABILITY ; PEPTIDES
DOI: 10.1016/j.cplett.2016.03.032
通讯作者: Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China. ; Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China.
文章类型: 期刊文献
英文摘要: Poly-proline fragments form the distinctive PPII-helix in a high percentage in proteins and peptides, which plays an important role in signal transduction and protein complex assembly. But why and how this helical structure works is still unknown. In this work, we applied the density functional calculations to investigate the different preferences of prolines on C-gamma-endo and C-gamma-exo conformers, in which non covalent interactions play important roles. As a result, C-gamma-exo conformers are favored for short-oligomers with stronger n -> pi* interaction formed by the backbone, while C gamma-endo conformers are favored for longer oligomers with stronger dipole interactions between side groups. (C) 2016 Elsevier B.V. All rights reserved.
收录类别: SCI
语种: 英语
WOS记录号: WOS:000377203300022
ISSN号: 0009-2614
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/25667
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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Recommended Citation:
Guo, P,Lei, XL,Gao, Y. Conformational flexibility of PPII-helix: A density functional theory study[J]. CHEMICAL PHYSICS LETTERS,2016-01-01,651(-):109—113.
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