Table 5 Results of the redocking experiments performed on the PPDbench dataset

2HO2

13

71

7.58 ±1.30

2.64 ±0.41

4B4N

40

110

8.82 ±0.95

5.21 ±0.61

2O9V

15

69

6.07 ±0.29

1.98 ±0.77

3AWR

41

84

8.25 ±0.74

4.94 ±0.37

3OBQ

19

62

7.50 ±0.70

2.52 ±0.93

2PEH

41

88

7.13 ±1.10

4.54 ±0.15

1CKA

22

65

6.78 ±0.18

2.68 ±0.49

2XVC

41

99

10.67 ±1.56

2.53 ±0.35

2A25

23

60

10.65 ±1.54

1.45 ±0.98

3GYT

42

81

7.14 ±0.47

5.63 ±0.30

2R9Q

24

59

5.93 ±0.72

2.25 ±0.22

1H6W

42

85

11.13 ±2.14

2.65 ±1.68

4H4F

25

72

3.75 ±0.20

1.05 ±0.03

2O4J

42

87

8.18 ±0.95

4.82 ±0.56

1SSH

25

76

8.31 ±1.04

5.04 ±0.30

4GQ6

42

99

6.98 ±1.36

4.65 ±0.28

3TJV

26

63

5.45 ±1.78

1.43 ±0.05

2XRW

42

100

9.19 ±1.24

6.26 ±0.67

3ERY

27

70

6.26 ±1.55

3.10 ±0.38

3DS4

42

103

7.85 ±0.82

4.79 ±0.36

3I5R

27

70

5.71 ±0.24

3.67 ±0.63

2PUY

43

80

8.94 ±2.46

3.94 ±0.30

1MFG

29

71

7.27 ±1.78

3.88 ±0.13

2P1T

43

86

5.86 ±1.09

4.05 ±0.74

1YWO

29

80

6.89 ±1.66

3.50 ±0.23

1D4T

44

90

14.65 ±1.08

4.81 ±0.87

1QKZ

30

62

5.63 ±1.71

2.82 ±0.39

2QSE

45

89

7.21 ±0.68

5.25 ±0.23

1K5N

30

64

4.66 ±0.99

2.84 ±0.63

1RXZ

45

97

7.35 ±0.81

3.53 ±0.91

1OAI

30

66

7.75 ±0.28

3.03 ±0.43

2BBA

45

115

7.18 ±0.82

5.08 ±0.35

1U00

30

71

7.01 ±1.08

2.20 ±0.15

1NQ7

46

90

8.06 ±0.41

5.46 ±0.30

1RST

30

76

7.16 ±0.36

4.37 ±0.14

3KMR

46

90

7.02 ±0.86

5.36 ±0.36

4GXL

30

81

7.41 ±1.01

2.69 ±0.20

3VTC

46

91

8.59 ±0.91

5.63 ±0.11

3RM1

31

71

6.23 ±0.88

3.21 ±0.63

2P54

46

97

7.40 ±0.75

5.14 ±0.34

2D0N

32

70

9.69 ±2.48

3.56 ±0.54

2QOS

46

97

7.64 ±0.37

5.89 ±0.33

2VR3

32

71

12.06 ±2.67

6.30 ±1.43

3RQG

47

92

7.09 ±0.29

5.34 ±0.24

4HTP

32

85

9.02 ±0.27

4.52 ±0.88

4ERY

47

100

7.19 ±0.33

3.61 ±0.59

2CE8

33

70

7.19 ±0.35

4.59 ±0.66

2FTS

47

104

8.04 ±0.42

4.54 ±0.24

4F1Z

33

72

15.69 ±2.99

2.88 ±0.17

1OW6

48

94

9.95 ±0.52

7.23 ±0.39

2ZJD

33

77

2.77 ±0.53

1.79 ±0.07

3C3R

48

104

8.94 ±1.47

5.87 ±0.34

3W1B

33

85

9.93 ±0.52

5.21 ±1.19

3L0E

49

98

7.08 ±1.09

5.22 ±0.10

3V2X

34

84

10.65 ±0.96

2.56 ±0.46

3OLF

49

99

6.51 ±0.57

5.49 ±0.27

3PTL

35

71

10.92 ±2.82

3.99 ±0.19

1T08

49

115

8.98 ±0.81

5.36 ±0.97

1X2R

35

74

6.51 ±0.95

4.12 ±0.40

1NLN

50

94

7.41 ±0.88

2.96 ±0.85

3KUS

35

83

7.28 ±1.99

2.53 ±0.57

4J8S

50

102

6.63 ±0.61

4.79 ±0.18

3U9Q

36

69

5.64 ±1.24

3.34 ±0.35

2FMF

50

107

9.26 ±0.85

6.54 ±0.33

1T7R

36

77

5.21 ±0.30

3.15 ±0.47

2FFF

50

109

7.98 ±0.52

4.72 ±0.77

2QBX

36

80

4.02 ±0.80

2.47 ±0.56

3QIS

50

109

5.91 ±0.44

3.85 ±0.49

1NX1

36

81

5.57 ±0.65

4.01 ±0.47

2PUX

50

111

9.27 ±1.71

5.18 ±0.28

2W2U

36

91

6.17 ±1.49

3.49 ±0.49

2CCH

51

102

8.26 ±0.45

4.94 ±0.81

1UJ0

37

74

7.02 ±1.10

3.89 ±0.40

2WHX

51

109

8.41 ±0.69

4.98 ±0.72

2HT9

37

85

7.72 ±0.75

5.74 ±0.23

2VWF

51

115

8.28 ±1.55

5.65 ±0.22

1EG4

37

106

8.97 ±0.86

4.64 ±0.26

2B9H

52

101

9.73 ±2.17

4.53 ±0.53

2FVJ

38

81

6.83 ±0.44

5.13 ±0.24

3UP3

53

108

8.75 ±0.83

6.28 ±0.19

3LL8

38

85

3.70 ±1.01

1.98 ±0.15

3H1Z

53

136

9.89 ±2.02

5.04 ±0.33

1T4F

38

86

7.52 ±0.81

5.27 ±0.13

1PZL

55

114

7.79 ±0.62

5.62 ±0.31

1TFC

39

81

7.02 ±0.64

4.95 ±0.28

4K0U

62

130

8.31 ±0.74

5.90 ±0.49

2DYP

39

81

3.70 ±0.91

1.71 ±0.12

2V8Y

67

129

9.10 ±1.42

6.09 ±0.36

1NTV

39

89

6.20 ±0.87

3.27 ±0.69

7.7 ±1.01

4.17 ±0.45