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蛋白质折叠动力学的马尔可夫状态模型中玻璃态行为的出现。

Emergence of glass-like behavior in Markov state models of protein folding dynamics.

机构信息

Department of Chemistry, Stanford University, Stanford, California 94305, USA.

出版信息

J Am Chem Soc. 2013 Apr 17;135(15):5501-4. doi: 10.1021/ja4002663. Epub 2013 Apr 3.

Abstract

The extent to which glass-like kinetics govern dynamics in protein folding has been heavily debated. Here, we address the subject with an application of space-time perturbation theory to the dynamics of protein folding Markov state models. Borrowing techniques from the s-ensemble method, we argue that distinct active and inactive phases exist for protein folding dynamics, and that kinetics for specific systems can fall into either dynamical regime. We do not, however, observe a true glass transition in any system studied. We go on to discuss how these inactive and active phases might relate to general protein folding properties.

摘要

玻璃态动力学在多大程度上控制蛋白质折叠动力学一直存在争议。在这里,我们通过时空摄动理论在蛋白质折叠马氏态模型动力学中的应用来解决这个问题。借鉴 s-ensemble 方法的技术,我们认为蛋白质折叠动力学存在明显的活跃相和不活跃相,并且特定系统的动力学可以落入这两种动力学状态之一。然而,我们在任何研究的系统中都没有观察到真正的玻璃转变。我们接着讨论这些不活跃相和活跃相可能与一般蛋白质折叠性质的关系。

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本文引用的文献

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Simple few-state models reveal hidden complexity in protein folding.简单的少体模型揭示了蛋白质折叠中的隐藏复杂性。
Proc Natl Acad Sci U S A. 2012 Oct 30;109(44):17807-13. doi: 10.1073/pnas.1201810109. Epub 2012 Jul 9.
2
The fast and the slow: folding and trapping of λ6-85.快速与缓慢:λ6-85 的折叠与捕获。
J Am Chem Soc. 2011 Dec 7;133(48):19338-41. doi: 10.1021/ja209073z. Epub 2011 Nov 14.
3
How fast-folding proteins fold.快速折叠蛋白如何折叠。
Science. 2011 Oct 28;334(6055):517-20. doi: 10.1126/science.1208351.
6
Protein folded states are kinetic hubs.蛋白质折叠状态是动力学枢纽。
Proc Natl Acad Sci U S A. 2010 Jun 15;107(24):10890-5. doi: 10.1073/pnas.1003962107. Epub 2010 Jun 1.
8
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The protein folding problem.蛋白质折叠问题。
Annu Rev Biophys. 2008;37:289-316. doi: 10.1146/annurev.biophys.37.092707.153558.

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