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

Docking Result

CHEMBL248810_dpp4

Atoms: 306
Models: 9
Best Energy: -8.705 kcal/mol

Binding Energies:
  • Pose 1: -8.705 kcal/mol
  • Pose 2: -8.541 kcal/mol
  • Pose 3: -8.37 kcal/mol
  • Pose 4: -8.003 kcal/mol
  • Pose 5: -7.968 kcal/mol
  • Pose 6: -7.881 kcal/mol
  • Pose 7: -7.866 kcal/mol
  • Pose 8: -7.855 kcal/mol
  • Pose 9: -7.734 kcal/mol
CHEMBL248810_dpp4
Energy Plot
RMSD Scatter Plot