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

Docking Result

CHEMBL5822886_dpp4

Atoms: 261
Models: 9
Best Energy: -8.106 kcal/mol

Binding Energies:
  • Pose 1: -8.106 kcal/mol
  • Pose 2: -8.029 kcal/mol
  • Pose 3: -8.018 kcal/mol
  • Pose 4: -7.752 kcal/mol
  • Pose 5: -7.701 kcal/mol
  • Pose 6: -7.549 kcal/mol
  • Pose 7: -7.429 kcal/mol
  • Pose 8: -7.377 kcal/mol
  • Pose 9: -7.32 kcal/mol
CHEMBL5822886_dpp4
Energy Plot
RMSD Scatter Plot