. Author manuscript; available in PMC: 2015 Mar 16.

Published in final edited form as: J Chem Theory Comput. 2013 Apr 9;9(4):2020–2034. doi: 10.1021/ct3010485

Table 3.

abs_e and rel_e (kcal/mol) between each GB and PB calculation for type I and II test sets, shown for multiple GB models. Type II test sets are indicated in bold.

	GB-OBC	GB-Neck	GB-Neck2		GB-OBC	GB-Neck	GB-Neck2
(A) abs_e (kcal/mol)				(B) rel_e (kcal/mol)
Ala10	1.1	2.2	1.0	Ala10	0.7	0.7	0.5
Trpzip2	9.2	8.4	3.2	Trpzip2	1.6	1.9	1.2
3Ai3	7.2	10.6	4.0	3Ai3	2.1	2.0	1.9
RAAE	1.3	1.6	1.4	RAAE	0.6	0.7	0.5
HP36	21.3	29.7	6.6	HP36	6.0	6.0	5.4
tc5b	7.4	13.4	5.3	tc5b	1.8	2.6	1.8
DPDP	3.4	12.7	3.6	DPDP	2.0	2.2	1.9
HIV1-PR	115.0	133.1	17.2	HIV1-PR	20.1	20.1	16.8
Lysozyme	72.2	88.4	13.1	Lysozyme	13.4	13.5	11.9