Assessment of AlphaFold structures and optimization methods for virtual screening
Yanfei Peng, Xia Wu, Liang Lin, Zhiluo Deng, Limin Zhao, Ke Hao
The paper evaluates AlphaFold structures for virtual screening, finding 35% perform as well as DUD-E structures and 25% better, and introduces a consensus scoring method that improves screening speed without sacrificing enrichment factor.
bioRxiv · Jan 10, 2023 · PreprintBioinformatics