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

Docking Result

CHEMBL5891902_dpp4

Atoms: 279
Models: 9
Best Energy: -8.462 kcal/mol

Binding Energies:
  • Pose 1: -8.462 kcal/mol
  • Pose 2: -8.024 kcal/mol
  • Pose 3: -7.981 kcal/mol
  • Pose 4: -7.896 kcal/mol
  • Pose 5: -7.818 kcal/mol
  • Pose 6: -7.797 kcal/mol
  • Pose 7: -7.677 kcal/mol
  • Pose 8: -7.342 kcal/mol
  • Pose 9: -7.219 kcal/mol
CHEMBL5891902_dpp4
Energy Plot
RMSD Scatter Plot