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

Docking Result

CHEMBL3127991_dpp4

Atoms: 225
Models: 9
Best Energy: -7.414 kcal/mol

Binding Energies:
  • Pose 1: -7.414 kcal/mol
  • Pose 2: -7.025 kcal/mol
  • Pose 3: -6.995 kcal/mol
  • Pose 4: -6.954 kcal/mol
  • Pose 5: -6.895 kcal/mol
  • Pose 6: -6.885 kcal/mol
  • Pose 7: -6.855 kcal/mol
  • Pose 8: -6.687 kcal/mol
  • Pose 9: -6.646 kcal/mol
CHEMBL3127991_dpp4
Energy Plot
RMSD Scatter Plot