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

Docking Result

CHEMBL230095_dpp4

Atoms: 243
Models: 9
Best Energy: -7.468 kcal/mol

Binding Energies:
  • Pose 1: -7.468 kcal/mol
  • Pose 2: -7.013 kcal/mol
  • Pose 3: -6.904 kcal/mol
  • Pose 4: -6.876 kcal/mol
  • Pose 5: -6.85 kcal/mol
  • Pose 6: -6.788 kcal/mol
  • Pose 7: -6.786 kcal/mol
  • Pose 8: -6.743 kcal/mol
  • Pose 9: -6.638 kcal/mol
CHEMBL230095_dpp4
Energy Plot
RMSD Scatter Plot