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

Docking Result

CHEMBL2346919_dpp4

Atoms: 216
Models: 9
Best Energy: -6.977 kcal/mol

Binding Energies:
  • Pose 1: -6.977 kcal/mol
  • Pose 2: -6.975 kcal/mol
  • Pose 3: -6.934 kcal/mol
  • Pose 4: -6.76 kcal/mol
  • Pose 5: -6.602 kcal/mol
  • Pose 6: -6.431 kcal/mol
  • Pose 7: -6.345 kcal/mol
  • Pose 8: -6.344 kcal/mol
  • Pose 9: -6.025 kcal/mol
CHEMBL2346919_dpp4
Energy Plot
RMSD Scatter Plot