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

Docking Result

CHEMBL5404995_dpp4

Atoms: 324
Models: 9
Best Energy: -10.122 kcal/mol

Binding Energies:
  • Pose 1: -10.122 kcal/mol
  • Pose 2: -9.422 kcal/mol
  • Pose 3: -9.164 kcal/mol
  • Pose 4: -9.042 kcal/mol
  • Pose 5: -8.906 kcal/mol
  • Pose 6: -8.862 kcal/mol
  • Pose 7: -8.742 kcal/mol
  • Pose 8: -8.741 kcal/mol
  • Pose 9: -8.723 kcal/mol
CHEMBL5404995_dpp4
Energy Plot
RMSD Scatter Plot