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

Docking Result

CHEMBL394594_dpp4

Atoms: 279
Models: 9
Best Energy: -6.456 kcal/mol

Binding Energies:
  • Pose 1: -6.456 kcal/mol
  • Pose 2: -6.07 kcal/mol
  • Pose 3: -6.066 kcal/mol
  • Pose 4: -6.016 kcal/mol
  • Pose 5: -5.993 kcal/mol
  • Pose 6: -5.945 kcal/mol
  • Pose 7: -5.875 kcal/mol
  • Pose 8: -5.84 kcal/mol
  • Pose 9: -5.75 kcal/mol
CHEMBL394594_dpp4
Energy Plot
RMSD Scatter Plot