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

Docking Result

CHEMBL2425059_dpp4

Atoms: 279
Models: 9
Best Energy: -8.586 kcal/mol

Binding Energies:
  • Pose 1: -8.586 kcal/mol
  • Pose 2: -8.285 kcal/mol
  • Pose 3: -8.099 kcal/mol
  • Pose 4: -8.056 kcal/mol
  • Pose 5: -8.011 kcal/mol
  • Pose 6: -7.982 kcal/mol
  • Pose 7: -7.901 kcal/mol
  • Pose 8: -7.766 kcal/mol
  • Pose 9: -7.686 kcal/mol
CHEMBL2425059_dpp4
Energy Plot
RMSD Scatter Plot