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

Docking Result

CHEMBL237569_dpp4

Atoms: 279
Models: 9
Best Energy: -9.896 kcal/mol

Binding Energies:
  • Pose 1: -9.896 kcal/mol
  • Pose 2: -9.558 kcal/mol
  • Pose 3: -9.42 kcal/mol
  • Pose 4: -9.403 kcal/mol
  • Pose 5: -9.388 kcal/mol
  • Pose 6: -9.295 kcal/mol
  • Pose 7: -9.293 kcal/mol
  • Pose 8: -9.194 kcal/mol
  • Pose 9: -8.946 kcal/mol
CHEMBL237569_dpp4
Energy Plot
RMSD Scatter Plot