Exact solution of the Munoz-Eaton model for protein folding
Exact solution of the Munoz-Eaton model for protein folding
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DOI：
10.1103/physrevlett.88.258101
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发表时间：
2002-06-24
影响因子：
8.6
通讯作者：
Pelizzola, A
中科院分区：
文献类型：
--
作者：
Bruscolini, P;Pelizzola, A
一个传输矩阵的形式主义引入准确评估的Munoz-Eaton模型的配分函数，已知结构的蛋白质的折叠动力学，它们的热力学和拓扑结构。该技术可用于通用蛋白质，用于能量和熵参数的任何选择，并且原则上允许该模型用作表征已知天然状态和平衡群体的蛋白质的动力学的第一工具。应用到一个β-发夹和蛋白质CI-2，与以前的结果进行比较，也显示。
A transfer-matrix formalism is introduced to evaluate exactly the partition function of the Munoz-Eaton model, relating the folding kinetics of proteins of known structure to their thermodynamics and topology. This technique can be used for a generic protein, for any choice of the energy and entropy parameters, and in principle allows the model to be used as a first tool to characterize the dynamics of a protein of known native state and equilibrium population. Applications to a beta-hairpin and to protein CI-2, with comparisons to previous results, are also shown.