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在虚拟选中使用宏分子电子密度来改善活性化合物的丰富

Wenzhi Ma1, Wei Zhang2,3, Yuan Le1

  • 1Beijing StoneWise Technology Co Ltd., Haidian Street #15, Haidian District, 100080, Beijing, China.

Communications chemistry
|August 23, 2023
PubMed
概括

本研究介绍了一种基于电子密度 (ED) 的实验方法,以提高虚拟选的准确性. 新的方法ExptGMS可以将活性化合物的识别提高20%以上.

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