BiochemistrybioRxivPreprint
AlphaFold3 in Drug Discovery: A Comprehensive Assessment of Capabilities, Limitations, and Applications
Haiyang Zheng, Hanfeng Lin, Adebowale A. Alade…·Jin Wang
This study evaluates AlphaFold3's performance in drug discovery tasks, finding it excels at static protein-ligand interactions but struggles with conformational changes, GPCR bias, and affinity ranking.
18 citations