Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures
A. M. Diaz-Rovira, H. Martin, T. Beuming, L. Diaz, V. Guallar, S. S. Ray
This study evaluates the accuracy of AlphaFold2 structures for virtual screening, finding that out-of-the-box models are insufficient for hit-finding in low sequence identity targets and suggest post-processing improvements.
bioRxiv · Aug 18, 2022Biochemistry