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

Docking Result

CHEMBL3965981_dpp4

Atoms: 369
Models: 9
Best Energy: -9.569 kcal/mol

Binding Energies:
  • Pose 1: -9.569 kcal/mol
  • Pose 2: -8.75 kcal/mol
  • Pose 3: -8.743 kcal/mol
  • Pose 4: -8.693 kcal/mol
  • Pose 5: -8.533 kcal/mol
  • Pose 6: -8.416 kcal/mol
  • Pose 7: -8.392 kcal/mol
  • Pose 8: -8.199 kcal/mol
  • Pose 9: -8.061 kcal/mol
CHEMBL3965981_dpp4
Energy Plot
RMSD Scatter Plot