AlphaFold3 in Drug Discovery: A Comprehensive Assessment of Capabilities, Limitations, and Applications
Haiyang Zheng, Hanfeng Lin, Adebowale A. Alade, Jingjing Chen, Erika Y. Monroy, Min Zhang, 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.
bioRxiv · Apr 7, 2025 · PreprintBiochemistry