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

Docking Result

CHEMBL234613_dpp4

Atoms: 189
Models: 9
Best Energy: -6.504 kcal/mol

Binding Energies:
  • Pose 1: -6.504 kcal/mol
  • Pose 2: -6.429 kcal/mol
  • Pose 3: -6.37 kcal/mol
  • Pose 4: -6.232 kcal/mol
  • Pose 5: -6.222 kcal/mol
  • Pose 6: -6.213 kcal/mol
  • Pose 7: -6.128 kcal/mol
  • Pose 8: -5.985 kcal/mol
  • Pose 9: -5.948 kcal/mol
CHEMBL234613_dpp4
Energy Plot
RMSD Scatter Plot