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

Docking Result

CHEMBL4746458_dpp4

Atoms: 342
Models: 9
Best Energy: -9.504 kcal/mol

Binding Energies:
  • Pose 1: -9.504 kcal/mol
  • Pose 2: -9.323 kcal/mol
  • Pose 3: -9.229 kcal/mol
  • Pose 4: -9.177 kcal/mol
  • Pose 5: -9.037 kcal/mol
  • Pose 6: -8.921 kcal/mol
  • Pose 7: -8.842 kcal/mol
  • Pose 8: -8.791 kcal/mol
  • Pose 9: -8.626 kcal/mol
CHEMBL4746458_dpp4
Energy Plot
RMSD Scatter Plot