TABLE 3.

MM-PBSA results.

	DSK	Acarbose
VDWAALS	−15.84 ± 0.39	−29.86 ± 1.01
EEL	−586.14 ± 2.32	−81.12 ± 4.95
EGB	565.10 ± 1.55	108.44 ± 4.87
ESURF	−5.02 ± 0.06	−6.22 ± 0.19
ΔG gas	−601.98 ± 2.49	−110.99 ± 4.99
ΔG solv	560.08 ± 1.50	102.21 ± 4.74
ΔTOTAL	−41.90 ± 1.14	−8.77 ± 1.08
Ki (μM)	0.03 ± 0.01	62 ± 13
ΔGexp	−10.32	−5.76