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

Docking Result

CHEMBL5857197_dpp4

Atoms: 261
Models: 9
Best Energy: -8.384 kcal/mol

Binding Energies:
  • Pose 1: -8.384 kcal/mol
  • Pose 2: -8.015 kcal/mol
  • Pose 3: -7.978 kcal/mol
  • Pose 4: -7.836 kcal/mol
  • Pose 5: -7.769 kcal/mol
  • Pose 6: -7.756 kcal/mol
  • Pose 7: -7.69 kcal/mol
  • Pose 8: -7.637 kcal/mol
  • Pose 9: -7.588 kcal/mol
CHEMBL5857197_dpp4
Energy Plot
RMSD Scatter Plot