Minimum number

EPM

EAMBER

EOPLS

EDFT

9-methyladenine

1

−10.01

−10.40

−10.62

−7.76

−9.3b

2

−8.64

−8.15

−8.94

−7.58

−8.7b

3

−6.41

−6.75

−6.69

−5.16

1-metilthymine

1

−4.92

−6.96

−8.9

−6.40

−6.97

−5.9b

−5.65a

−4.6

2

−8.21

−8.74

−9.47

−7.48

−7.22

−8.1b

−8.58a

−6.8

3

−7.81

−8.05

−10.47

−6.46

−6.73

−8.2b

−8.35a

−6.5

4

−5.71

−6.71

−9.67

−6.28

9-methylguanine

1

−7.72

−11.98

−9.99

−9.37

−7.31c

2

−10.81

−11.78

−12.20

−11.11

−10.43b

−10.56c

3

−8.85

−10.99

−11.35

−9.62

−8.72c

4

−8.48

−9.95

−10.34

−7.81

−7.66c

1-methylcytosine

1

−5.88

−7.56

−6.38

−6.24

−6.41

−5.24a

−4.5c

−4.5

−4.47d

2

−10.24

−10.81

−7.82

−9.92

−9.85

−9.97a

−9.1c

−9.1

−8.26d

3

−7.39

−10.91

−11.69

−8.75

−5.06d

4

−6.32

−8.35

−5.46

−7.33