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蛋白质折叠理论:从晶格模型到全原子模型。

Protein folding theory: from lattice to all-atom models.

作者信息

Mirny L, Shakhnovich E

机构信息

Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA.

出版信息

Annu Rev Biophys Biomol Struct. 2001;30:361-96. doi: 10.1146/annurev.biophys.30.1.361.

Abstract

This review focuses on recent advances in understanding protein folding kinetics in the context of nucleation theory. We present basic concepts such as nucleation, folding nucleus, and transition state ensemble and then discuss recent advances and challenges in theoretical understanding of several key aspects of protein folding kinetics. We cover recent topology-based approaches as well as evolutionary studies and molecular dynamics approaches to determine protein folding nucleus and analyze other aspects of folding kinetics. Finally, we briefly discuss successful all-atom Monte-Carlo simulations of protein folding and conclude with a brief outlook for the future.

摘要

本综述聚焦于在成核理论背景下理解蛋白质折叠动力学的最新进展。我们介绍了诸如成核、折叠核和过渡态系综等基本概念,然后讨论了蛋白质折叠动力学几个关键方面的理论理解的最新进展和挑战。我们涵盖了基于拓扑结构的最新方法以及进化研究和分子动力学方法,以确定蛋白质折叠核并分析折叠动力学的其他方面。最后,我们简要讨论了蛋白质折叠成功的全原子蒙特卡罗模拟,并对未来进行了简要展望。

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