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

Docking Result

CHEMBL438547_dpp4

Atoms: 234
Models: 9
Best Energy: -7.44 kcal/mol

Binding Energies:
  • Pose 1: -7.44 kcal/mol
  • Pose 2: -7.331 kcal/mol
  • Pose 3: -7.062 kcal/mol
  • Pose 4: -6.907 kcal/mol
  • Pose 5: -6.849 kcal/mol
  • Pose 6: -6.832 kcal/mol
  • Pose 7: -6.828 kcal/mol
  • Pose 8: -6.777 kcal/mol
  • Pose 9: -6.755 kcal/mol
CHEMBL438547_dpp4
Energy Plot
RMSD Scatter Plot