. 2018 Mar 13;114(5):1058–1066. doi: 10.1016/j.bpj.2018.01.014

Table 1.

Sampling of Exit Pathways by WE Simulations Performed with Distance to Cavity Center-of-Mass, Ligand RMSD, and Voronoi Bins Progress Coordinates in Different Temperatures

Pathway	400 K		300 K
	Dist	RMSD	V_blue		V_orange		V_pink	V_cyan
	Dist	RMSD	Before^a	After	Before	After	V_pink	V_cyan
Blue	4	2	6	6	6	0	0	0
Orange	3	2	6	0	6	6	0	0
Pink	2	5	0	0	0	0	6	0
Cyan	0	2	0	0	0	0	0	6
Total	4	5	6		6		6	6

The total refers to the total amount of WE simulations. Dist, distance to the center-of-mass; V, Voronoi bin.

Before and after post-production reassignment step, as explained in the main text.