Tag: molecular-simulation

Introducing AlphaFold-SFA, a novel method combining AlphaFold, slow feature analysis (SFA), and metadynamics to accelerate the sampling of rare events like cryptic pocket openings, protein-ligand bindings, and allostery in proteins. This method overcomes limitations of traditional molecular dynamics by using SFA as a dimensionality reduction tool, thus enabling more efficient exploration of protein dynamics and

Continue reading