Table 1. Ten Systems Simulated Employing SuMD and SuMD Path Sampling.

ligand	transition	no. of SuMD replicas	total SuMD path sampling
adenosine	binding	9	5.18 μs
	unbinding	5	3.09 μs
NECA	binding	6	1.86 μs
	unbinding	6	7.10 μs
CPA	binding	9	4.34 μs
	unbinding	10	0.97 μs
HOCPA	binding	8	4.06 μs
	unbinding	6	2.58 μs
BnOCPA	binding	7	5.82 μs
	unbinding	6	4.92 μs