Table 1 Results of the redocking experiments performed on the Dhanik dataset

2FZC

7

18

3.51 ±0.45

3.54 ±0.20

2.80 ±0.31

2.77 ±0.24

2.76 ±0.24

2.24

2.24

1TYR

8

22

5.17 ±1.66

4.17 ±1.73

2.77 ±0.16

2.35 ±0.28

1.82 ±0.26

1.81

1.62

1V2O

10

30

3.53 ±0.07

3.27 ±0.22

2.65 ±0.23

2.58 ±0.19

2.39 ±0.18

2.17

2.17

2DRC

10

33

7.19 ±0.39

7.69 ±0.64

3.51 ±2.69

3.30 ±2.56

1.06 ±0.18

1.00

0.97

1NWL

11

31

5.31 ±1.08

5.19 ±1.82

3.03 ±0.61

2.23 ±0.50

1.49 ±0.11

1.61

1.18

1ELB

13

33

4.56 ±0.13

4.48 ±0.03

3.35 ±0.58

2.72 ±0.57

2.18 ±0.28

2.20

1.90

3GSS

18

39

5.29 ±1.09

4.96 ±0.70

3.15 ±1.12

2.73 ±0.97

3.10 ±0.20

1.74

1.61

1IS0

18

47

5.90 ±1.34

3.37 ±0.80

3.44 ±0.55

2.20 ±0.71

2.20 ±0.33

1.36

1.32

1A1B

19

39

3.03 ±0.28

3.18 ±0.47

2.40 ±0.40

1.97 ±0.53

1.97 ±0.41

1.27

1.27

1JQ9

20

47

7.99 ±2.20

9.51 ±0.21

5.41 ±1.39

5.48 ±1.77

2.90 ±0.15

2.46

2.46

4FIV

20

58

2.77 ±1.28

1.11 ±0.50

0.79 ±0.36

0.60 ±0.03

0.62 ±0.09

0.55

0.49

4ER2

22

48

3.42 ±0.45

2.40 ±0.75

2.30 ±0.60

1.98 ±0.49

1.55 ±0.09

1.35

1.33

1G7Q

22

57

3.99 ±1.35

2.01 ±1.15

2.23 ±1.01

1.48 ±0.20

1.10 ±0.07

1.11

0.98

1SLG

23

59

7.30 ±1.79

6.43 ±2.17

3.76 ±1.42

3.13 ±1.01

2.36 ±0.10

2.13

1.91

1FZK

23

68

6.64 ±0.72

3.94 ±1.84

4.26 ±1.76

1.94 ±0.62

1.20 ±0.15

1.37

1.11

2ER9

25

65

2.87 ±0.39

2.67 ±0.29

2.09 ±0.21

2.10 ±0.34

1.87 ±0.11

1.52

1.52

1FKN

29

63

4.67 ±1.27

3.56 ±0.38

3.08 ±0.14

2.83 ±0.22

2.11 ±0.28

2.08

1.75

1PZ5

29

67

5.54 ±0.81

6.28 ±0.10

4.69 ±0.73

4.49 ±0.22

3.16 ±0.29

3.90

1.87

1FO0

30

70

7.36 ±1.22

4.78 ±1.08

3.29 ±1.83

2.92 ±1.57

1.05 ±0.19

1.04

0.73

5.05 ±0.95

4.35 ±0.79

3.11 ±0.85

2.62 ±0.69

1.94 ±0.20

1.73

1.50