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

Docking Result

CHEMBL223865_dpp4

Atoms: 207
Models: 9
Best Energy: -7.456 kcal/mol

Binding Energies:
  • Pose 1: -7.456 kcal/mol
  • Pose 2: -7.205 kcal/mol
  • Pose 3: -7.176 kcal/mol
  • Pose 4: -6.875 kcal/mol
  • Pose 5: -6.85 kcal/mol
  • Pose 6: -6.8 kcal/mol
  • Pose 7: -6.797 kcal/mol
  • Pose 8: -6.775 kcal/mol
  • Pose 9: -6.587 kcal/mol
CHEMBL223865_dpp4
Energy Plot
RMSD Scatter Plot