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

Docking Result

CHEMBL361154_dpp4

Atoms: 171
Models: 9
Best Energy: -6.77 kcal/mol

Binding Energies:
  • Pose 1: -6.77 kcal/mol
  • Pose 2: -6.718 kcal/mol
  • Pose 3: -6.692 kcal/mol
  • Pose 4: -6.482 kcal/mol
  • Pose 5: -6.459 kcal/mol
  • Pose 6: -6.433 kcal/mol
  • Pose 7: -6.398 kcal/mol
  • Pose 8: -6.186 kcal/mol
  • Pose 9: -6.12 kcal/mol
CHEMBL361154_dpp4
Energy Plot
RMSD Scatter Plot