Table 3 The free energy alongside the individual components deriving complex formation.

From: Molecular insights into antibiofilm inhibitors of Streptococcus mutans glucosyltransferases through in silico approaches

Energy components (Kcal/mol)

Compounds

I

II

III

IV

V

VI

Evdw

−22.98

−21.71

−22.92

−38.61

−36.29

−24.51

Eelec

−9.499

−22.80

−27.25

−14.39

−30.23

−25.13

Epb

27.85

34.43

50.18

36.31

45.90

40.87

Enpolar

−2.709

−2.88

−3.07

−4.489

−3.59

−2.81

ΔG gas

−32.48

−44.52

−50.18

−53.00

−66.52

−49.65

ΔG solv

25.14

31.55

47.10

31.82

42.31

38.06

Δtotal

−7.33

−12.97

−3.07

−21.18

−24.02

−11.59

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