Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein
Fig 4
PMF profile of LA dissociation.
The 2D PMF plot illustrates ligand RMSD and gate distance changes, indicating the intermediate conformations during LA unbinding processes. Arrows show the LA snapshots, starting in the fully bound state and moving along either Path A or Path B. A dual arrow indicates the transition of LA between dissociation paths at intermediate stages I-1A and I-1B.