Conformational flexibility of PPII-helix: A density functional theory study
文献类型：期刊论文
| 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 |
| ISSN号 | 0009-2614 |
| 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. |
| 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 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/25667]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Guo, P,Lei, XL,Gao, Y. Conformational flexibility of PPII-helix: A density functional theory study[J]. CHEMICAL PHYSICS LETTERS,2016,651(-):109—113. |
| APA | Guo, P,Lei, XL,&Gao, Y.(2016).Conformational flexibility of PPII-helix: A density functional theory study.CHEMICAL PHYSICS LETTERS,651(-),109—113. |
| MLA | Guo, P,et al."Conformational flexibility of PPII-helix: A density functional theory study".CHEMICAL PHYSICS LETTERS 651.-(2016):109—113. |
入库方式： OAI收割
来源：上海应用物理研究所
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