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

Docking Result

CHEMBL5863326_dpp4

Atoms: 324
Models: 9
Best Energy: -8.853 kcal/mol

Binding Energies:
  • Pose 1: -8.853 kcal/mol
  • Pose 2: -8.845 kcal/mol
  • Pose 3: -8.821 kcal/mol
  • Pose 4: -8.815 kcal/mol
  • Pose 5: -8.303 kcal/mol
  • Pose 6: -8.224 kcal/mol
  • Pose 7: -8.152 kcal/mol
  • Pose 8: -8.037 kcal/mol
  • Pose 9: -8.031 kcal/mol
CHEMBL5863326_dpp4
Energy Plot
RMSD Scatter Plot