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

Docking Result

CHEMBL9352_dpp4

Atoms: 207
Models: 9
Best Energy: -7.617 kcal/mol

Binding Energies:
  • Pose 1: -7.617 kcal/mol
  • Pose 2: -7.499 kcal/mol
  • Pose 3: -7.407 kcal/mol
  • Pose 4: -6.893 kcal/mol
  • Pose 5: -6.816 kcal/mol
  • Pose 6: -6.805 kcal/mol
  • Pose 7: -6.431 kcal/mol
  • Pose 8: -6.407 kcal/mol
  • Pose 9: -6.377 kcal/mol
CHEMBL9352_dpp4
Energy Plot
RMSD Scatter Plot