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

Docking Result

CHEMBL395919_dpp4

Atoms: 171
Models: 9
Best Energy: -6.005 kcal/mol

Binding Energies:
  • Pose 1: -6.005 kcal/mol
  • Pose 2: -5.971 kcal/mol
  • Pose 3: -5.961 kcal/mol
  • Pose 4: -5.907 kcal/mol
  • Pose 5: -5.903 kcal/mol
  • Pose 6: -5.865 kcal/mol
  • Pose 7: -5.855 kcal/mol
  • Pose 8: -5.854 kcal/mol
  • Pose 9: -5.805 kcal/mol
CHEMBL395919_dpp4
Energy Plot
RMSD Scatter Plot