Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G
文献类型：期刊论文
| 作者 | Zhou YQ ; Zhang C ; Stell G ; Wang J |
| 刊名 | journal of the american chemical society
 |
| 出版日期 | 2003 |
| 卷号 | 125期号:20页码:6300-6305 |
| 关键词 | FOLDING THERMODYNAMICS ENERGY LANDSCAPE KINETICS SPECTROSCOPY PERSPECTIVE MECHANISM SYSTEMS SURFACE STATES SOLIDS |
| ISSN号 | 0002-7863 |
| 通讯作者 | zhou yq |
| 中文摘要 | more than 22 000 folding kinetic simulations were performed to study the temperature dependence of the distribution of first passage time (fpt) for the folding of an all-atom go-like model of the second beta-hairpin fragment of protein g. we find that the mean fpt (mfpt) for folding has a u (or v)-shaped dependence on the temperature with a minimum at a characteristic optimal folding temperature t-opt*. the optimal folding temperature t-opt* is located between the thermodynamic folding transition temperature and the solidification temperature based on the lindemann criterion for the solid. both the t-opt* and the mfpt decrease when the energy bias gap against nonnative contacts increases. the high-order moments are nearly constant when the temperature is higher than t-opt* and start to diverge when the temperature is lower than t-opt*. the distribution of fpt is close to a log-normal-like distribution at t* greater than or equal to t-opt*. at even lower temperatures, the distribution starts to develop long power-law-like tails, indicating the non-self-averaging intermittent behavior of the folding dynamics. it is demonstrated that the distribution of fpt can also be calculated reliably from the derivative of the fraction not folded (or fraction folded), a measurable quantity by routine ensemble-averaged experimental techniques at dilute protein concentrations. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000182959600061 |
| 公开日期 | 2010-09-13 |
| 源URL | [http://202.98.16.49/handle/322003/17949]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhou YQ,Zhang C,Stell G,et al. Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G[J]. journal of the american chemical society,2003,125(20):6300-6305. |
| APA | Zhou YQ,Zhang C,Stell G,&Wang J.(2003).Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G.journal of the american chemical society,125(20),6300-6305. |
| MLA | Zhou YQ,et al."Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G".journal of the american chemical society 125.20(2003):6300-6305. |
入库方式： OAI收割
来源：长春应用化学研究所
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。