Molecular docking is an important method in drug virtual screening, and it should be improved applying in the study of inter - action between immobilized ligand and protein.
分子对接技术是药物虚拟筛选的重要手段，将它应用到固定化配基与蛋白质相互作用的研究中需要改进。
The basic theory of molecular docking design was first briefly described, and then the concept of the key residues in the protein receptor was introduced to establish a new flexible docking model.
首先阐述了分子对接设计的基本原理，然后在蛋白质受体中引入关键残基的概念，建立了一个新的柔性分子对接模型。
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