蛋白质折叠构象网络模型的建构及其特性分析

Establishment of a Model of Protein Folding Conformation Network and Analyzing Its Properties

在建构蛋白质折叠构象网络时,提出同时考虑构象势能差和构象结构两个因素,建立节点间边的关系。蛋白质折叠构象网络模型的建构,为蛋白质结构预测研究提供了一条新的思路。通过对蛋白质折叠构象网络的静态统计量和拓扑特性的分析,了解到蛋白质折叠构象网络是一个具有小世界、无标度和集聚性等特性的复杂网络。蛋白质折叠构象网络模型能使最优构象的搜索并行地进行,这对蛋白质结构预测分析和了解真实网络的特性及结构具有很大的应用价值。

In this paper, we build a model of protein folding conformation network and provide a new idea for finding protein structure. Protein folding conformations take the form of networks, in which we in-novatively consider the relation between energy difference of conformations and shape of conformations as edges. Analyses of static statistical quantity and topological characteristics show that protein folding conformation network is a complex network with small word, scale-free and centrality properties. Understanding these in the network of protein folding conformation, one can find the better conformation of protein folding which approaches nature, study evolving process of protein structure and predict protein structure