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题名: Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes
作者: Wu, Xue1;  Xu, Peijun2;  Wang, Jinguang3;  Xu, Yong4;  Fu, Ting1;  Zhao, Meixia2;  Zhang, Depeng2;  Liu, Jiahui2;  Shen, Hujun1;  Xiu, Zhilong5;  Li, Guohui1;  Wei, D;  Xu, Q;  Zhao, T;  Dai, H
关键词: G-quadruplex ;  Go-model ;  Fold
刊名: ADVANCE IN STRUCTURAL BIOINFORMATICS
发表日期: 2015
DOI: 10.1007/978-94-017-9245-5_10
卷: 827, 页:123-141
收录类别: BSCI ;  SCI
文章类型: Article
WOS标题词: Science & Technology ;  Life Sciences & Biomedicine
类目[WOS]: Mathematical & Computational Biology ;  Medical Informatics
研究领域[WOS]: Mathematical & Computational Biology ;  Medical Informatics
英文摘要: The G-quadruplex DNA formed by the stack of guanines in human telomere sequence is a promising anticancer target. In this study we used the energy landscape theory to elucidate the folding mechanisms for the thrombin aptamer, Form 1 and Form 3 G-quadruplexes. The three G-quadruplexes were simulated with all-atom Go-model. Results show that, the three G-quadruplexes fold through a two-state mechanism. In the initial stage of the folding process, the compact structures are formed. The G-quadruplexes need to form G-triplex structures on the basis of the compact structures before folding to the native states. The folding free energy barrier of Form 3 G-quadruplex is higher than thrombin aptamer and Form 1, which shows that the structure of Form 3 G-quadruplex has more stability than the other two G-quadruplexes.
关键词[WOS]: HUMAN TELOMERIC DNA ;  K+ SOLUTION ;  CRYSTAL-STRUCTURE ;  HELIX FORMATION ;  BIOLOGY ;  BINDING ;  SIMULATIONS ;  FRUSTRATION ;  TETRAPLEX ;  PATHWAYS
语种: 英语
WOS记录号: WOS:000350428600011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146027
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Lab Mol Modeling & Design, State Key Lab Mol React Dynam, Dalian, Liaoning, Peoples R China
2.Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian, Liaoning, Peoples R China
3.Dalian Med Univ, Affiliated Hosp 1, Dalian, Peoples R China
4.Guangzhou Inst Biomed & Hlth, Guangzhou, Guangdong, Peoples R China
5.Dalian Univ Technol, Sch Life Sci & Technol, Dalian, Peoples R China

Recommended Citation:
Wu, Xue,Xu, Peijun,Wang, Jinguang,et al. Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes[J]. ADVANCE IN STRUCTURAL BIOINFORMATICS,2015,827:123-141.
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