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

Docking Result

CHEMBL321724_dpp4

Atoms: 216
Models: 9
Best Energy: -7.172 kcal/mol

Binding Energies:
  • Pose 1: -7.172 kcal/mol
  • Pose 2: -7.056 kcal/mol
  • Pose 3: -7.037 kcal/mol
  • Pose 4: -6.969 kcal/mol
  • Pose 5: -6.938 kcal/mol
  • Pose 6: -6.868 kcal/mol
  • Pose 7: -6.764 kcal/mol
  • Pose 8: -6.46 kcal/mol
  • Pose 9: -6.288 kcal/mol
CHEMBL321724_dpp4
Energy Plot
RMSD Scatter Plot