. Author manuscript; available in PMC: 2012 Jan 24.

Published in final edited form as: J Chem Inf Model. 2010 Nov 30;51(1):69–82. doi: 10.1021/ci100275a

Table 5.

The correlations between the experimental and calculated binding free energies using three different GB models and three different solute dielectric constants

	GB^HCT			GB^OBC1			GB^OBC2

	ε_in=1	ε_in=2	ε_in=4	ε_in=1	ε_in=2	ε_in=4	ε_in=1	ε_in=2	ε_in=4
α-thrombin	0.58	0.88	0.90	0.71	0.91	0.90	0.73	0.78	0.83
avidin	0.78	0.49	0.37	0.93	0.73	0.49	0.92	0.91	0.77
cytochrome C peroxidase	0.17	−0.11	−0.27	0.21	−0.04	−0.48	0.35	0.22	−0.41
neuraminidase	0.21	0.55	0.78	−0.15	0.20	0.60	−0.16	−0.02	0.24
P450cam	0.61	0.65	0.66	0.58	0.63	0.65	−0.42	−0.37	−0.21
penicillopepsin	0.51	0.62	0.65	0.68	0.73	0.74	0.23	0.40	0.55