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

Docking Result

CHEMBL254229_dpp4

Atoms: 369
Models: 9
Best Energy: -8.546 kcal/mol

Binding Energies:
  • Pose 1: -8.546 kcal/mol
  • Pose 2: -8.446 kcal/mol
  • Pose 3: -8.43 kcal/mol
  • Pose 4: -8.242 kcal/mol
  • Pose 5: -8.071 kcal/mol
  • Pose 6: -7.991 kcal/mol
  • Pose 7: -7.97 kcal/mol
  • Pose 8: -7.881 kcal/mol
  • Pose 9: -7.724 kcal/mol
CHEMBL254229_dpp4
Energy Plot
RMSD Scatter Plot