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

Docking Result

CHEMBL254647_dpp4

Atoms: 378
Models: 9
Best Energy: -9.454 kcal/mol

Binding Energies:
  • Pose 1: -9.454 kcal/mol
  • Pose 2: -9.269 kcal/mol
  • Pose 3: -9.149 kcal/mol
  • Pose 4: -9.098 kcal/mol
  • Pose 5: -8.966 kcal/mol
  • Pose 6: -8.957 kcal/mol
  • Pose 7: -8.778 kcal/mol
  • Pose 8: -8.76 kcal/mol
  • Pose 9: -8.635 kcal/mol
CHEMBL254647_dpp4
Energy Plot
RMSD Scatter Plot