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

Docking Result

CHEMBL330426_dpp4

Atoms: 252
Models: 9
Best Energy: -8.404 kcal/mol

Binding Energies:
  • Pose 1: -8.404 kcal/mol
  • Pose 2: -8.403 kcal/mol
  • Pose 3: -8.188 kcal/mol
  • Pose 4: -8.109 kcal/mol
  • Pose 5: -7.879 kcal/mol
  • Pose 6: -7.872 kcal/mol
  • Pose 7: -7.829 kcal/mol
  • Pose 8: -7.786 kcal/mol
  • Pose 9: -7.596 kcal/mol
CHEMBL330426_dpp4
Energy Plot
RMSD Scatter Plot