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

Docking Result

CHEMBL3233555_dpp4

Atoms: 189
Models: 9
Best Energy: -7.245 kcal/mol

Binding Energies:
  • Pose 1: -7.245 kcal/mol
  • Pose 2: -7.199 kcal/mol
  • Pose 3: -7.11 kcal/mol
  • Pose 4: -7.109 kcal/mol
  • Pose 5: -6.993 kcal/mol
  • Pose 6: -6.842 kcal/mol
  • Pose 7: -6.806 kcal/mol
  • Pose 8: -6.801 kcal/mol
  • Pose 9: -6.693 kcal/mol
CHEMBL3233555_dpp4
Energy Plot
RMSD Scatter Plot