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

Docking Result

CHEMBL4557028_dpp4

Atoms: 189
Models: 9
Best Energy: -6.54 kcal/mol

Binding Energies:
  • Pose 1: -6.54 kcal/mol
  • Pose 2: -6.29 kcal/mol
  • Pose 3: -6.063 kcal/mol
  • Pose 4: -6.057 kcal/mol
  • Pose 5: -5.879 kcal/mol
  • Pose 6: -5.813 kcal/mol
  • Pose 7: -5.798 kcal/mol
  • Pose 8: -5.792 kcal/mol
  • Pose 9: -5.77 kcal/mol
CHEMBL4557028_dpp4
Energy Plot
RMSD Scatter Plot