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

Docking Result

CHEMBL4535561_dpp4

Atoms: 162
Models: 9
Best Energy: -6.237 kcal/mol

Binding Energies:
  • Pose 1: -6.237 kcal/mol
  • Pose 2: -5.999 kcal/mol
  • Pose 3: -5.92 kcal/mol
  • Pose 4: -5.868 kcal/mol
  • Pose 5: -5.806 kcal/mol
  • Pose 6: -5.715 kcal/mol
  • Pose 7: -5.554 kcal/mol
  • Pose 8: -5.545 kcal/mol
  • Pose 9: -5.487 kcal/mol
CHEMBL4535561_dpp4
Energy Plot
RMSD Scatter Plot