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

Docking Result

CHEMBL392084_dpp4

Atoms: 252
Models: 9
Best Energy: -8.203 kcal/mol

Binding Energies:
  • Pose 1: -8.203 kcal/mol
  • Pose 2: -7.016 kcal/mol
  • Pose 3: -6.975 kcal/mol
  • Pose 4: -6.899 kcal/mol
  • Pose 5: -6.829 kcal/mol
  • Pose 6: -6.777 kcal/mol
  • Pose 7: -6.721 kcal/mol
  • Pose 8: -6.664 kcal/mol
  • Pose 9: -6.598 kcal/mol
CHEMBL392084_dpp4
Energy Plot
RMSD Scatter Plot