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

Docking Result

CHEMBL177472_dpp4

Atoms: 144
Models: 9
Best Energy: -6.887 kcal/mol

Binding Energies:
  • Pose 1: -6.887 kcal/mol
  • Pose 2: -6.673 kcal/mol
  • Pose 3: -6.482 kcal/mol
  • Pose 4: -6.409 kcal/mol
  • Pose 5: -6.39 kcal/mol
  • Pose 6: -6.362 kcal/mol
  • Pose 7: -6.338 kcal/mol
  • Pose 8: -6.103 kcal/mol
  • Pose 9: -6.035 kcal/mol
CHEMBL177472_dpp4
Energy Plot
RMSD Scatter Plot