Table 3.

Normalized overlap volume matrix of the four crystal cluster representatives for CDK2, the four MD cluster representatives for CDK2 and the four REMD cluster representatives for CDK2 310 K. Cross normalized overlap volumes between the crystal, MD and REMD shapes shaded green.

Crystal
	1OI9	2BHE	1GZ8	1W0X
1OI9	1.00	0.46	0.40	0.49
2BHE	0.46	1.00	0.38	0.52
1GZ8	0.40	0.38	1.00	0.50
1W0X	0.49	0.52	0.50	1.00
MD					e	f	g	h
e	0.36	0.32	0.45	0.44	1.00	0.37	0.31	0.29
f	0.32	0.26	0.38	0.35	0.37	1.00	0.41	0.39
g	0.28	0.27	0.30	0.31	0.31	0.41	1.00	0.43
h	0.52	0.41	0.37	0.45	0.29	0.39	0.43	1.00
REMD									i	j	k	l
i	0.51	0.43	0.33	0.42	0.30	0.35	0.37	0.50	1.00	0.49	0.41	0.38
j	0.47	0.39	0.40	0.42	0.31	0.37	0.28	0.51	0.49	1.00	0.37	0.40
k	0.44	0.43	0.44	0.55	0.49	0.35	0.31	0.43	0.41	0.37	1.00	0.35
l	0.37	0.28	0.46	0.37	0.46	0.47	0.40	0.38	0.38	0.40	0.35	1.00