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

Docking Result

CHEMBL3654422_dpp4

Atoms: 306
Models: 9
Best Energy: -6.425 kcal/mol

Binding Energies:
  • Pose 1: -6.425 kcal/mol
  • Pose 2: -6.348 kcal/mol
  • Pose 3: -6.299 kcal/mol
  • Pose 4: -6.048 kcal/mol
  • Pose 5: -5.95 kcal/mol
  • Pose 6: -5.938 kcal/mol
  • Pose 7: -5.902 kcal/mol
  • Pose 8: -5.882 kcal/mol
  • Pose 9: -5.721 kcal/mol
CHEMBL3654422_dpp4
Energy Plot
RMSD Scatter Plot