Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein
文献类型：期刊论文
| 作者 | Zhao, Guang-Jiu; Cheng, Chang-Li |
| 刊名 | amino acids
 |
| 出版日期 | 2012-08-01 |
| 卷号 | 43期号:2页码:557-565 |
| 关键词 | Protein folding Protein unfolding Hydrogen bond Beta-hairpin Steered molecular dynamics |
| 产权排序 | 1,1 |
| 通讯作者 | 赵广久 |
| 英文摘要 | steered molecular dynamics simulations are performed to explore the unfolding and refolding processes of cln025, a 10-residue beta-hairpin. in unfolding process, when cln025 is pulled along the termini, the force-extension curve goes back and forth between negative and positive values not long after the beginning of simulation. that is so different from what happens in other peptides, where force is positive most of the time. the abnormal phenomenon indicates that electrostatic interaction between the charged termini plays an important role in the stability of the beta-hairpin. in the refolding process, the collapse to beta-hairpin-like conformations is very fast, within only 3.6 ns, which is driven by hydrophobic interactions at the termini, as the hydrophobic cluster involves aromatic rings of tyr1, tyr2, trp9, and tyr10. our simulations improve the understanding on the structure and function of this type of miniprotein and will be helpful to further investigate the unfolding and refolding of more complex proteins. |
| WOS标题词 | science & technology ; life sciences & biomedicine |
| 学科主题 | 物理化学 |
| 类目[WOS] | biochemistry & molecular biology |
| 研究领域[WOS] | biochemistry & molecular biology |
| 关键词[WOS] | 2-dimensional infrared-spectroscopy ; atomic-force microscopy ; protein chromophore models ; beta-hairpin ; mass-spectrometry ; conformational states ; backbone constituent ; fluorescent protein ; bicyclic peptides ; complex-formation |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000306365500005 |
| 公开日期 | 2013-10-11 |
| 源URL | [http://159.226.238.44/handle/321008/118284]  |
| 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 | Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Guang-Jiu,Cheng, Chang-Li. Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein[J]. amino acids,2012,43(2):557-565. |
| APA | Zhao, Guang-Jiu,&Cheng, Chang-Li.(2012).Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein.amino acids,43(2),557-565. |
| MLA | Zhao, Guang-Jiu,et al."Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein".amino acids 43.2(2012):557-565. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。