Table 3. Binding free energy (kJ/mol) calculation of complex C1, C2, C3, C4, and C5 determine by MMGBSA.

Interactions	PGAM1- C1	PGAM1- C2	PGAM1- C3	PGAM1- C4	PGAM1- C5
ΔGvdW	−29.61 ± 0.17	−37.42 ± 0.26	−42.36 ± 0.19	−17.79 ± 0.35	−35.96 ± 0.32
ΔGele	−21.66 ± 0.57	−19.64 ± 0.29	−21.39 ± 0.34	−13.24 ± 0.72	−15.17 ± 0.50
ΔGGB	38.31 ± 0.49	25.04 ± 0.29	27.41 ± 0.25	25.98 ± 0.71	19.33 ± 0.28
ΔGsurf	−4.09 ± 0.02	−5.09 ± 0.02	−5.18 ± 0.01	−2.16 ± 0.04	−4.99 ± 0.04
ΔGgas	−51.27 ± 0.55	−57.06 ± 0.32	−63.76 ± 0.33	−31.04 ± 0.55	−51.13 ± 0.74
ΔGsolv	34.21 ± 0.48	19.94 ± 0.29	22.22 ± 0.25	23.81 ± 0.73	14.34 ± 0.26
ΔGtotal	−17.05 ± 0.23	−37.11 ± 0.36	−41.53 ± 0.39	−7.22 ± 0.34	−36.79 ± 0.62