基于半边图模型的蛋白质建模研究

Protein modeling based on half-link graph

适合大中型蛋白质的建模方法目前尚属于空白。设计出一种新预测模型,称为"半边图模型"。利用半边图模型描述底层数据结构,进行底层计算,确立蛋白质的立体结构。新模型适于表现原子之间和原子团之间的相互结合作用,能够模拟大分子相互作用的蛋白质真实折叠环境,即大分子相互作用的环境。

At present, the protein modeling methods for medium and large protein are still blank. It designs a new prediction model which named half-link garph model. It uses half-link graph model to describe the underlying data structure and establish three-dimensional structure of proteins through underlying calculations. The new model is suitable for the performance of interaction between atoms and interaction between atomic groups. It also can simulate the actual environment of protein folding.