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

Docking Result

CHEMBL3329688_dpp4

Atoms: 288
Models: 9
Best Energy: -6.415 kcal/mol

Binding Energies:
  • Pose 1: -6.415 kcal/mol
  • Pose 2: -6.313 kcal/mol
  • Pose 3: -6.309 kcal/mol
  • Pose 4: -6.017 kcal/mol
  • Pose 5: -5.975 kcal/mol
  • Pose 6: -5.829 kcal/mol
  • Pose 7: -5.748 kcal/mol
  • Pose 8: -5.705 kcal/mol
  • Pose 9: -5.645 kcal/mol
CHEMBL3329688_dpp4
Energy Plot
RMSD Scatter Plot