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

Docking Result

CHEMBL463230_dpp4

Atoms: 315
Models: 9
Best Energy: -8.013 kcal/mol

Binding Energies:
  • Pose 1: -8.013 kcal/mol
  • Pose 2: -7.515 kcal/mol
  • Pose 3: -7.035 kcal/mol
  • Pose 4: -7.009 kcal/mol
  • Pose 5: -6.998 kcal/mol
  • Pose 6: -6.902 kcal/mol
  • Pose 7: -6.834 kcal/mol
  • Pose 8: -6.775 kcal/mol
  • Pose 9: -6.587 kcal/mol
CHEMBL463230_dpp4
Energy Plot
RMSD Scatter Plot