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

Docking Result

CHEMBL6173511_dpp4

Atoms: 333
Models: 9
Best Energy: -8.318 kcal/mol

Binding Energies:
  • Pose 1: -8.318 kcal/mol
  • Pose 2: -8.23 kcal/mol
  • Pose 3: -8.188 kcal/mol
  • Pose 4: -7.996 kcal/mol
  • Pose 5: -7.98 kcal/mol
  • Pose 6: -7.957 kcal/mol
  • Pose 7: -7.793 kcal/mol
  • Pose 8: -7.77 kcal/mol
  • Pose 9: -7.583 kcal/mol
CHEMBL6173511_dpp4
Energy Plot
RMSD Scatter Plot