利用分子对接技术预测了2种蛋白质固定相分别与4对手性化合物的相互作用情况.结果表明,预测结合自由能(△G)的大小与对映体(R-(+)型和S-(-)型)的出峰顺序一致；结合自由能差值的绝对值(△(△G))与实验分离因子(α)大小顺序一致.说明分子对接可以反映蛋白质对不同的手性化合物的识别能力和化合物R-(+)型和S-(-)型的出峰顺序.
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