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

Docking Result

CHEMBL5896005_dpp4

Atoms: 324
Models: 9
Best Energy: -8.75 kcal/mol

Binding Energies:
  • Pose 1: -8.75 kcal/mol
  • Pose 2: -8.511 kcal/mol
  • Pose 3: -8.414 kcal/mol
  • Pose 4: -8.325 kcal/mol
  • Pose 5: -8.291 kcal/mol
  • Pose 6: -8.235 kcal/mol
  • Pose 7: -8.211 kcal/mol
  • Pose 8: -8.057 kcal/mol
  • Pose 9: -8.015 kcal/mol
CHEMBL5896005_dpp4
Energy Plot
RMSD Scatter Plot