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

Docking Result

CHEMBL216296_dpp4

Atoms: 243
Models: 9
Best Energy: -6.916 kcal/mol

Binding Energies:
  • Pose 1: -6.916 kcal/mol
  • Pose 2: -6.454 kcal/mol
  • Pose 3: -6.416 kcal/mol
  • Pose 4: -6.226 kcal/mol
  • Pose 5: -6.087 kcal/mol
  • Pose 6: -6.057 kcal/mol
  • Pose 7: -6.039 kcal/mol
  • Pose 8: -6.013 kcal/mol
  • Pose 9: -5.893 kcal/mol
CHEMBL216296_dpp4
Energy Plot
RMSD Scatter Plot