蛋白质空间形态特征分析与计算方法

The Analysis and Computing Methods of the Protein Spacial Conformation

本文的主要目的是把空间多面体、超图与深度这三个概念综合起来,作为描述与分析空间质点系形态的基本工具。在此基础上,我们针对蛋白质空间形态中的二种重要特征: “空洞”与“口袋”,用小球滚动法给出它们的计算方法。

We propose to analyze the spacial conformation of particles by integrating the concepts of the convex hull, hypergraph and depth. Then, we generate the method of computing ＂hole＂ and ＂pocket＂ in protein structures via the probe sphere rolling.