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

Docking Result

CHEMBL383087_dpp4

Atoms: 180
Models: 9
Best Energy: -6.466 kcal/mol

Binding Energies:
  • Pose 1: -6.466 kcal/mol
  • Pose 2: -6.324 kcal/mol
  • Pose 3: -6.229 kcal/mol
  • Pose 4: -6.215 kcal/mol
  • Pose 5: -6.098 kcal/mol
  • Pose 6: -5.914 kcal/mol
  • Pose 7: -5.892 kcal/mol
  • Pose 8: -5.881 kcal/mol
  • Pose 9: -5.692 kcal/mol
CHEMBL383087_dpp4
Energy Plot
RMSD Scatter Plot