Table 4.

Average relative energy and contributions (in kcal/mol) of the decoys.

	IMM1			IMM1-p36			GBSAIM		GBSW				HDGB
T, Å	25.4	27	28.5	25.4	27	28.5	25.4	27	28.5	25.4	27	28.5	28.5
Energy	57.5	84.5	54.7	112.2	106.2	95.0	72.6	66.2	57.4	130.4	106.2	127.3	132.0
VDW	53.0	42.3	43.7	77.0	53.6	50.7	32.3	30.8	17.5	36.0	47.2	51.2	36.6
ELEC	26.3	37.2	23.2	79.6	98.6	75.1	30.5	−10.6	23.0	195.5	160.7	158.5	306.8
SFE/ASP	−24.9	5.3	−13.7	−41.2	−46.6	−36.7	5.7	4.6	3.2	1.4	4.0	5.3	11.5
GBEN							−1.4	33.2	3.0	−96.7	−95.7	−77.2	−203.6
ELEC+GBEN							29.1	22.5	26.0	98.8	64.9	81.2	103.2
VDW+ASP							38.0	35.4	20.8	37.3	51.2	56.5	48.1