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

Docking Result

CHEMBL4549857_dpp4

Atoms: 324
Models: 9
Best Energy: -8.728 kcal/mol

Binding Energies:
  • Pose 1: -8.728 kcal/mol
  • Pose 2: -8.676 kcal/mol
  • Pose 3: -8.655 kcal/mol
  • Pose 4: -8.332 kcal/mol
  • Pose 5: -8.064 kcal/mol
  • Pose 6: -7.891 kcal/mol
  • Pose 7: -7.821 kcal/mol
  • Pose 8: -7.741 kcal/mol
  • Pose 9: -7.721 kcal/mol
CHEMBL4549857_dpp4
Energy Plot
RMSD Scatter Plot