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

Docking Result

CHEMBL5630676_dpp4

Atoms: 405
Models: 9
Best Energy: -9.364 kcal/mol

Binding Energies:
  • Pose 1: -9.364 kcal/mol
  • Pose 2: -9.349 kcal/mol
  • Pose 3: -9.306 kcal/mol
  • Pose 4: -8.91 kcal/mol
  • Pose 5: -8.83 kcal/mol
  • Pose 6: -8.766 kcal/mol
  • Pose 7: -8.715 kcal/mol
  • Pose 8: -8.664 kcal/mol
  • Pose 9: -8.476 kcal/mol
CHEMBL5630676_dpp4
Energy Plot
RMSD Scatter Plot