AlphaFold-SFA: accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics
S. Vats, R. Bobrovs, P. Söderhjelm, S. Bhakat
This paper introduces AlphaFold-SFA, a method combining AlphaFold, slow feature analysis, and metadynamics to accelerate sampling of rare protein events like cryptic pocket opening and allosteric communication.
bioRxiv · Nov 21, 2023 · PreprintBiophysics