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

Docking Result

CHEMBL5220348_dpp4

Atoms: 270
Models: 9
Best Energy: -6.624 kcal/mol

Binding Energies:
  • Pose 1: -6.624 kcal/mol
  • Pose 2: -6.462 kcal/mol
  • Pose 3: -6.318 kcal/mol
  • Pose 4: -6.292 kcal/mol
  • Pose 5: -6.189 kcal/mol
  • Pose 6: -6.137 kcal/mol
  • Pose 7: -6.104 kcal/mol
  • Pose 8: -6.095 kcal/mol
  • Pose 9: -5.992 kcal/mol
CHEMBL5220348_dpp4
Energy Plot
RMSD Scatter Plot