BiophysicsbioRxivPreprint
AlphaFold-SFA: accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics
Shray Vats, Raitis Bobrovs, Pär Söderhjelm, Soumendranath 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.
DOI 10.1101/2023.11.21.568098