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

Docking Result

CHEMBL397242_dpp4

Atoms: 279
Models: 9
Best Energy: -6.048 kcal/mol

Binding Energies:
  • Pose 1: -6.048 kcal/mol
  • Pose 2: -6.035 kcal/mol
  • Pose 3: -5.975 kcal/mol
  • Pose 4: -5.921 kcal/mol
  • Pose 5: -5.823 kcal/mol
  • Pose 6: -5.66 kcal/mol
  • Pose 7: -5.648 kcal/mol
  • Pose 8: -5.469 kcal/mol
  • Pose 9: -5.467 kcal/mol
CHEMBL397242_dpp4
Energy Plot
RMSD Scatter Plot