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包含溶剂效应的二维氢键自回避行走的统计力学。

Statistical mechanics of the two-dimensional hydrogen-bonding self-avoiding walk including solvent effects.

作者信息

Foster D P, Pinettes C

机构信息

Laboratoire de Physique Théorique et Modélisation (CNRS UMR 8089), Université de Cergy-Pontoise, Cergy-Pontoise Cedex, France.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Feb;77(2 Pt 1):021115. doi: 10.1103/PhysRevE.77.021115. Epub 2008 Feb 15.

Abstract

A two-dimensional square-lattice model for the formation of secondary structures in proteins, the hydrogen-bonding model, is extended to include the effects of solvent quality. This is achieved by allowing configuration-dependent nearest-neighbor interactions. The phase diagram is presented and found to have a much richer variety of phases than either the pure hydrogen-bonding self-avoiding walk model or the standard Theta-point model.

摘要

用于蛋白质二级结构形成的二维方格模型,即氢键模型,被扩展以纳入溶剂质量的影响。这是通过允许依赖于构型的最近邻相互作用来实现的。给出了相图,发现其具有比纯氢键自回避行走模型或标准θ点模型丰富得多的相。

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