Table 6 MMPBSA energy components for the metformin–5XTD complex.

From: PEGylated liposomal metformin overcomes pharmacokinetic barriers to trigger potent mitochondrial disruption and cell cycle arrest in hepatocellular carcinoma

Energies (kcal/mol)

       

Frames

VDWAALS

EEL

EGB

ESURF

GGAS

GSOLV

Total

Average

0.62

 − 108.14

102.48

 − 1.17

 − 107.51

101.31

 − 6.21

SD

3.94

20.91

13.46

0.53

17.67

13.39

5.25

SEM

1.25

6.61

4.26

0.17

5.59

4.23

1.66

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