Table 1.

Normalized overlap volume matrix of the four crystal cluster representatives for AR, the four MD cluster representatives for AR and the four REMD cluster representatives for AR 310 K. Cross normalized overlap volumes between the crystal, MD and REMD shapes shaded green

Crystal
	1T74	2AMA	2AXA	2HVC
1T74	1.00	0.69	0.45	0.66
2AMA	0.69	1.00	0.56	0.57
2AXA	0.45	0.56	1.00	0.51
2HVC	0.66	0.57	0.51	1.00
MD					e	f	g	h
e	0.70	0.57	0.41	0.57	1.00	0.71	0.59	0.66
f	0.71	0.59	0.46	0.60	0.71	1.00	0.55	0.61
g	0.57	0.57	0.48	0.46	0.59	0.55	1.00	0.69
h	0.56	0.55	0.49	0.46	0.66	0.61	0.69	1.00
REMD									i	j	k	l
i	0.63	0.57	0.38	0.50	0.64	0.64	0.57	0.54	1.00	0.70	0.60	0.64
j	0.70	0.59	0.38	0.53	0.69	0.70	0.54	0.53	0.70	1.00	0.58	0.55
k	0.56	0.53	0.45	0.44	0.57	0.57	0.59	0.56	0.60	0.58	1.00	0.50
l	0.51	0.42	0.29	0.41	0.53	0.51	0.50	0.41	0.64	0.55	0.50	1.00