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

Docking Result

CHEMBL3343905_dpp4

Atoms: 279
Models: 9
Best Energy: -6.881 kcal/mol

Binding Energies:
  • Pose 1: -6.881 kcal/mol
  • Pose 2: -6.806 kcal/mol
  • Pose 3: -6.528 kcal/mol
  • Pose 4: -6.419 kcal/mol
  • Pose 5: -6.14 kcal/mol
  • Pose 6: -6.062 kcal/mol
  • Pose 7: -6.021 kcal/mol
  • Pose 8: -6.009 kcal/mol
  • Pose 9: -6.008 kcal/mol
CHEMBL3343905_dpp4
Energy Plot
RMSD Scatter Plot