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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