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

Docking Result

CHEMBL5630566_dpp4

Atoms: 342
Models: 9
Best Energy: -9.247 kcal/mol

Binding Energies:
  • Pose 1: -9.247 kcal/mol
  • Pose 2: -8.953 kcal/mol
  • Pose 3: -8.875 kcal/mol
  • Pose 4: -8.802 kcal/mol
  • Pose 5: -8.752 kcal/mol
  • Pose 6: -8.72 kcal/mol
  • Pose 7: -8.707 kcal/mol
  • Pose 8: -8.684 kcal/mol
  • Pose 9: -8.606 kcal/mol
CHEMBL5630566_dpp4
Energy Plot
RMSD Scatter Plot