Better resolution is important for a number of applications, including but not limited to virtual screening of drug targets with docking procedures and protein design.
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。
3
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.