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

Docking Result

CHEMBL5220613_dpp4

Atoms: 360
Models: 9
Best Energy: -7.142 kcal/mol

Binding Energies:
  • Pose 1: -7.142 kcal/mol
  • Pose 2: -7.05 kcal/mol
  • Pose 3: -6.794 kcal/mol
  • Pose 4: -6.767 kcal/mol
  • Pose 5: -6.686 kcal/mol
  • Pose 6: -6.662 kcal/mol
  • Pose 7: -6.638 kcal/mol
  • Pose 8: -6.596 kcal/mol
  • Pose 9: -6.571 kcal/mol
CHEMBL5220613_dpp4
Energy Plot
RMSD Scatter Plot