蛋白质折叠模型：将一维短程（伊辛）模型纳入三维模型。
Model of protein folding: incorporation of a one-dimensional short-range (Ising) model into a three-dimensional model.
作者信息
Tanaka S, Scheraga H A
出版信息
Proc Natl Acad Sci U S A. 1977 Apr;74(4):1320-3. doi: 10.1073/pnas.74.4.1320.
Abstract
In this paper, we have incorporated a one-dimensional short-range model into a three-dimensional model for protein folding. It has been applied, by extending the concept of the three-step mechanism for protein folding proposed in our previous paper, to simulate the folding of bovine pancreatic trypsin inhibitor, using a Monte Carlo procedure in all three steps, A, B, and C. The statistical mechanical ensemble treatment of the short-range model serves as a constraint on the Monte Carlo procedure, in which conformational transitions are introduced. The preliminary results of 10 independent Monte Carlo trials indicate that, while folding is achieved, improvements are required in order to account for the correct three-dimensional structure of a globular protein.
摘要
在本文中，我们将一维短程模型纳入蛋白质折叠的三维模型中。通过扩展我们先前论文中提出的蛋白质折叠三步机制的概念，该模型已被应用于使用蒙特卡罗方法模拟牛胰蛋白酶抑制剂的折叠过程，该方法适用于A、B和C这三个步骤。短程模型的统计力学系综处理对引入构象转变的蒙特卡罗方法起到了约束作用。10次独立蒙特卡罗试验的初步结果表明，虽然实现了折叠，但仍需要改进以解释球状蛋白质的正确三维结构。
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本文引用的文献
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