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Table 2 Success rates for the evaluation of docking power ranked by top three poses

From: DLIGAND2: an improved knowledge-based energy function for protein–ligand interactions using the distance-scaled, finite, ideal-gas reference state

Scoring function

Success rates (%)

The top pose

Top two poses

Top three poses

ChemPLP@GOLD

81

86.7

89.7

ChemScore@GOLD

77.9

83.1

88.2

GlideScore-SP

78.5

85.6

87.7

ASP@GOLD

71.8

81.5

87.2

LigScore2@DS

76.9

84.1

86.7

PLP1@DS

77.4

84.1

86.2

PLP2@DS

74.4

81.5

86.2

Alpha-HB@MOE

75.4

82.6

86.2

GoldScore@GOLD

71.3

81

85.6

GlideScore-XP

74.4

82.6

85.6

LUDI1@DS

59

75.4

83.1

LUDI2@DS

65.6

75.4

81.5

LigScore1@DS

65.1

74.9

81

Affinity-dG@MOE

63.1

74.9

81

London-dG@MOE

59.5

73.8

78.5

X-ScoreHM

61

73.3

77.9

ChemScore@SYBYL

59.5

69.2

75.4

X-Score

59.5

69.2

75.4

DLIGAND2

45.1

61

75.4

X-ScoreHP

54.4

67.7

73.8

LUDI3@DS

48.7

65.1

72.8

GScore@SYBYL

45.1

61.5

72.3

X-ScoreHS

54.4

66.7

72.3

Jain@DS

48.2

62.1

70.8

PMF@SYBYL

51.8

60

66.7

PMF04@DS

51.8

62.6

66.2

ASE@MOE

51.3

60

63.6

PMF@DS

44.1

52.3

60

DLIGAND

31.3

50.3

60.5

dSAS

21.5

33.3

45.1

DScore@SYBYL

18.5

29.7

42.6

  1. Results (excluding DLIGAND2 and DIGAND) cited from Li [5]. The RMSD value between one best-scored binding pose and the native binding pose is less than 2.0 Å