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

Docking Result

CHEMBL1688426_dpp4

Atoms: 216
Models: 9
Best Energy: -7.219 kcal/mol

Binding Energies:
  • Pose 1: -7.219 kcal/mol
  • Pose 2: -7.041 kcal/mol
  • Pose 3: -6.99 kcal/mol
  • Pose 4: -6.846 kcal/mol
  • Pose 5: -6.515 kcal/mol
  • Pose 6: -6.514 kcal/mol
  • Pose 7: -6.418 kcal/mol
  • Pose 8: -5.975 kcal/mol
  • Pose 9: -5.876 kcal/mol
CHEMBL1688426_dpp4
Energy Plot
RMSD Scatter Plot