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

Docking Result

CHEMBL461092_dpp4

Atoms: 243
Models: 9
Best Energy: -6.866 kcal/mol

Binding Energies:
  • Pose 1: -6.866 kcal/mol
  • Pose 2: -6.463 kcal/mol
  • Pose 3: -6.319 kcal/mol
  • Pose 4: -6.235 kcal/mol
  • Pose 5: -6.213 kcal/mol
  • Pose 6: -6.177 kcal/mol
  • Pose 7: -6.157 kcal/mol
  • Pose 8: -6.078 kcal/mol
  • Pose 9: -6.057 kcal/mol
CHEMBL461092_dpp4
Energy Plot
RMSD Scatter Plot