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

Docking Result

CHEMBL3084953_dpp4

Atoms: 270
Models: 9
Best Energy: -7.512 kcal/mol

Binding Energies:
  • Pose 1: -7.512 kcal/mol
  • Pose 2: -7.072 kcal/mol
  • Pose 3: -6.936 kcal/mol
  • Pose 4: -6.896 kcal/mol
  • Pose 5: -6.889 kcal/mol
  • Pose 6: -6.788 kcal/mol
  • Pose 7: -6.689 kcal/mol
  • Pose 8: -6.661 kcal/mol
  • Pose 9: -6.616 kcal/mol
CHEMBL3084953_dpp4
Energy Plot
RMSD Scatter Plot