Table 1.

The free energies of BLG-FA complex (kcal/mol)

Fatty acids	Det(Å12)	ΔPMF	Eb	ΔGGBSA2,13	ΔGexp10,11
C8:0 OCA	0.2260	−10.78 ±0.76	−5.76 ±0.76	−2.66	−5.57
C10:0 DKA	0.0300	−6.09 ±1.08	−4.44 ±1.08	−4.40	−5.22
C12:0 DAO	0.2130	−12.85 ±1.25	−6.89 ±1.25	−12.37	−7.24
C14:0 MYR	0.0003	−17.63 ±0.82	−8.57 ±0.82	−12.66	−8.14
C16:0 PLM	0.0013	−16.59 ±0.87	−8.99 ±0.87	−20.92	−8.72