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

Docking Result

CHEMBL520200_dpp4

Atoms: 252
Models: 9
Best Energy: -7.06 kcal/mol

Binding Energies:
  • Pose 1: -7.06 kcal/mol
  • Pose 2: -6.43 kcal/mol
  • Pose 3: -6.409 kcal/mol
  • Pose 4: -5.813 kcal/mol
  • Pose 5: -5.771 kcal/mol
  • Pose 6: -5.743 kcal/mol
  • Pose 7: -5.721 kcal/mol
  • Pose 8: -5.677 kcal/mol
  • Pose 9: -5.574 kcal/mol
CHEMBL520200_dpp4
Energy Plot
RMSD Scatter Plot