Benchmarking AI-powered docking methods from the perspective of virtual screening

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DOI:10.1038/s42256-025-00993-0
作者：Shukai Gu, Chao Shen, Xujun Zhang, Huiyong Sun, Heng Cai, Hao Luo, Huifeng Zhao, Bo Liu, Hongyan Du, Yihao Zhao, Chenggong Fu, Silong Zhai, 
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Nature

Abstract：Recently, many artificial intelligence (AI)-powered protein–ligand docking and scoring methods have been developed, demonstrating impressive speed and accuracy. However, these methods often

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