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

Docking Result

CHEMBL5523593_dpp4

Atoms: 441
Models: 9
Best Energy: -9.41 kcal/mol

Binding Energies:
  • Pose 1: -9.41 kcal/mol
  • Pose 2: -9.366 kcal/mol
  • Pose 3: -9.115 kcal/mol
  • Pose 4: -9.091 kcal/mol
  • Pose 5: -9.049 kcal/mol
  • Pose 6: -8.958 kcal/mol
  • Pose 7: -8.856 kcal/mol
  • Pose 8: -8.836 kcal/mol
  • Pose 9: -8.791 kcal/mol
CHEMBL5523593_dpp4
Energy Plot
RMSD Scatter Plot