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

Docking Result

CHEMBL270365_dpp4

Atoms: 189
Models: 9
Best Energy: -7.303 kcal/mol

Binding Energies:
  • Pose 1: -7.303 kcal/mol
  • Pose 2: -6.595 kcal/mol
  • Pose 3: -6.29 kcal/mol
  • Pose 4: -6.076 kcal/mol
  • Pose 5: -6.035 kcal/mol
  • Pose 6: -5.834 kcal/mol
  • Pose 7: -5.829 kcal/mol
  • Pose 8: -5.82 kcal/mol
  • Pose 9: -5.788 kcal/mol
CHEMBL270365_dpp4
Energy Plot
RMSD Scatter Plot