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

Docking Result

CHEMBL5435689_dpp4

Atoms: 342
Models: 9
Best Energy: -9.874 kcal/mol

Binding Energies:
  • Pose 1: -9.874 kcal/mol
  • Pose 2: -9.238 kcal/mol
  • Pose 3: -9.234 kcal/mol
  • Pose 4: -8.972 kcal/mol
  • Pose 5: -8.877 kcal/mol
  • Pose 6: -8.731 kcal/mol
  • Pose 7: -8.725 kcal/mol
  • Pose 8: -8.721 kcal/mol
  • Pose 9: -8.557 kcal/mol
CHEMBL5435689_dpp4
Energy Plot
RMSD Scatter Plot