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

Docking Result

CHEMBL5870057_dpp4

Atoms: 252
Models: 9
Best Energy: -8.7 kcal/mol

Binding Energies:
  • Pose 1: -8.7 kcal/mol
  • Pose 2: -8.417 kcal/mol
  • Pose 3: -8.323 kcal/mol
  • Pose 4: -8.136 kcal/mol
  • Pose 5: -8.057 kcal/mol
  • Pose 6: -8.02 kcal/mol
  • Pose 7: -7.947 kcal/mol
  • Pose 8: -7.724 kcal/mol
  • Pose 9: -7.662 kcal/mol
CHEMBL5870057_dpp4
Energy Plot
RMSD Scatter Plot