具有两态折叠特征的类Gō蛋白异聚物模型的热力学与动力学

Thermodynamics and kinetics of a Gō proteinlike heteropolymer model with two-state folding characteristics.

作者信息

Kallias Anna, Bachmann Michael, Janke Wolfhard

机构信息

Institut für Theoretische Physik, Universität Leipzig, Postfach 100 920, D-04009 Leipzig, Germany and Centre for Theoretical Sciences (NTZ), Universität Leipzig, Postfach 100 920, D-04009 Leipzig, Germany.

出版信息

J Chem Phys. 2008 Feb 7;128(5):055102. doi: 10.1063/1.2822287.

DOI:10.1063/1.2822287

Abstract

We present results of Monte Carlo computer simulations of a coarse-grained hydrophobic-polar Gō-like heteropolymer model and discuss thermodynamic properties and kinetics of an exemplified heteropolymer, exhibiting two-state folding behavior. It turns out that general, characteristic folding features of realistic proteins with a single free-energy barrier can also be observed in this simplified model, where the folding transition is primarily driven by the hydrophobic force.

摘要

我们展示了一个粗粒化疏水-极性类Gō杂聚物模型的蒙特卡罗计算机模拟结果，并讨论了一个具有两态折叠行为的示例性杂聚物的热力学性质和动力学。结果表明，在这个简化模型中也可以观察到具有单个自由能垒的现实蛋白质的一般特征性折叠特征，其中折叠转变主要由疏水力驱动。

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