The so-called molecule docking is to examine whether the two molecules can bind and predict the binding mode based on the three-dimensional structures of molecules.
所谓分子对接就是已知两个分子的三维结构,考察它们之间是否可以结合,并预测复合物的结合模式。
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The algorithm is applied to the docking of several simple model molecules and the docking between the benzamidine and HIV 1 protease.