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

Docking Result

CHEMBL383841_dpp4

Atoms: 279
Models: 9
Best Energy: -7.323 kcal/mol

Binding Energies:
  • Pose 1: -7.323 kcal/mol
  • Pose 2: -7.274 kcal/mol
  • Pose 3: -7.086 kcal/mol
  • Pose 4: -6.933 kcal/mol
  • Pose 5: -6.862 kcal/mol
  • Pose 6: -6.838 kcal/mol
  • Pose 7: -6.77 kcal/mol
  • Pose 8: -6.756 kcal/mol
  • Pose 9: -6.695 kcal/mol
CHEMBL383841_dpp4
Energy Plot
RMSD Scatter Plot