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

Docking Result

CHEMBL5630847_dpp4

Atoms: 270
Models: 9
Best Energy: -7.756 kcal/mol

Binding Energies:
  • Pose 1: -7.756 kcal/mol
  • Pose 2: -7.569 kcal/mol
  • Pose 3: -7.468 kcal/mol
  • Pose 4: -7.378 kcal/mol
  • Pose 5: -7.084 kcal/mol
  • Pose 6: -7.045 kcal/mol
  • Pose 7: -7.024 kcal/mol
  • Pose 8: -7.017 kcal/mol
  • Pose 9: -6.915 kcal/mol
CHEMBL5630847_dpp4
Energy Plot
RMSD Scatter Plot