Ligand

Score

ΔGHB

ΔGLip

ΔGRot

S(bar)

ΔGBind

RMSD (Å)

GMDSe6

97.02

−30.26

−20.35

7.13

8.00

−40.96

0.55

GMDSe7

96.44

−29.52

−20.18

7.12

8.00

−40.06

0.59

GMD

95.88

−30.19

−19.76

7.78

8.00

−39.65

0.40

GMDSe8

95.63

−27.59

−19.96

7.70

8,00

−37.33

0.60

GMDSe5

93.88

−26.75

−21.14

6.33

8.00

−39.04

0.95

GMDSe2

93.50

−25.65

20.09

7.13

6.00

−38.09

0.52

GMDSe4

92.64

−27.67

−19.69

7.79

8.00

−37.06

0.59

GMDSe9

90.94

−26.86

−19.16

7.70

8.00

−35.80

0.52

GMDSe3

86.08

−26.43

−19.42

4.99

8.00

−38.34

0.72

GMDSe1

81.75

−19.79

−22.32

7.70

8.00

−31.91

0.46