Generally, the protein-protein docking procedure is composed of four stages: searching of the binding modes of the receptor and the ligand, filtering of docked modes to eliminate the irrational docked structures, optimizing the structures, evaluating the docked modes with the refined scori.
通常,蛋白质-蛋白质分子对接包括四个阶段:搜索受体与配体分子间的结合模式,过滤对接结构以排除不合理的结合模式,优化结构,用精细的打分函数评价、排序对接模式并挑选近天然构象。
The content of the thesis contain the following major aspects:(1) Study on the scoring function of protein molecular dockingTwo scoring functions were proposed.
论文内容主要包括以下几个方面:(1)蛋白质分子对接打分函数的研究提出了两个打分函数。