Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model
文献类型：期刊论文
| 作者 | Wu, Xue1; Xu, Peijun2; Wang, Jinguang3; Xu, Yong4; Fu, Ting1; Zhang, Depeng2; Zhao, Meixia2; Liu, Jiahui2; Shen, Hujun1; Xiu, Zhilong5 |
| 刊名 | advance in structural bioinformatics
 |
| 出版日期 | 2015 |
| 卷号 | 827页码:93-110 |
| 关键词 | Trefoil Knot High-temperature unfolding Go-model Fold |
| 英文摘要 | most proteins need to avoid the complex topologies when folding into the native structures, but some proteins with nontrivial topologies have been found in nature. here we used protein unfolding simulations under high temperature and all-atom go-model to investigate the folding mechanisms for two trefoil knot proteins. results show that, the contacts in beta-sheet are important to the formation of knot protein, and if these contacts disappeared, the knot protein would be easy to untie. in the go-model simulations, the folding processes of the two knot proteins are similar. the compact structures of the two knot proteins with the native contacts in beta-sheet are formed in transition state, and the intermediate state has loose c-terminal. this model also reveals the detailed folding mechanisms for the two proteins. |
| 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 |
| 关键词[WOS] | free-energy calculations ; binding mechanism ; frustration ; topology ; funnels |
| 收录类别 | BSCI ; SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000350428600009 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/146034]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 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 |
| 推荐引用方式 GB/T 7714 | Wu, Xue,Xu, Peijun,Wang, Jinguang,et al. Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model[J]. advance in structural bioinformatics,2015,827:93-110. |
| APA | Wu, Xue.,Xu, Peijun.,Wang, Jinguang.,Xu, Yong.,Fu, Ting.,...&Dai, H.(2015).Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model.advance in structural bioinformatics,827,93-110. |
| MLA | Wu, Xue,et al."Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model".advance in structural bioinformatics 827(2015):93-110. |
入库方式： OAI收割
来源：大连化学物理研究所
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