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

Docking Result

CHEMBL5810438_dpp4

Atoms: 342
Models: 9
Best Energy: -9.752 kcal/mol

Binding Energies:
  • Pose 1: -9.752 kcal/mol
  • Pose 2: -9.306 kcal/mol
  • Pose 3: -9.246 kcal/mol
  • Pose 4: -9.149 kcal/mol
  • Pose 5: -8.98 kcal/mol
  • Pose 6: -8.887 kcal/mol
  • Pose 7: -8.863 kcal/mol
  • Pose 8: -8.831 kcal/mol
  • Pose 9: -8.568 kcal/mol
CHEMBL5810438_dpp4
Energy Plot
RMSD Scatter Plot