DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL5818540_dpp4

Atoms: 396
Models: 9
Best Energy: -10.019 kcal/mol

Binding Energies:
  • Pose 1: -10.019 kcal/mol
  • Pose 2: -9.994 kcal/mol
  • Pose 3: -9.899 kcal/mol
  • Pose 4: -9.855 kcal/mol
  • Pose 5: -9.502 kcal/mol
  • Pose 6: -9.447 kcal/mol
  • Pose 7: -9.108 kcal/mol
  • Pose 8: -9.028 kcal/mol
  • Pose 9: -8.961 kcal/mol
CHEMBL5818540_dpp4
Energy Plot
RMSD Scatter Plot