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

Docking Result

CHEMBL404030_dpp4

Atoms: 252
Models: 9
Best Energy: -9.269 kcal/mol

Binding Energies:
  • Pose 1: -9.269 kcal/mol
  • Pose 2: -8.686 kcal/mol
  • Pose 3: -8.624 kcal/mol
  • Pose 4: -8.561 kcal/mol
  • Pose 5: -8.556 kcal/mol
  • Pose 6: -8.505 kcal/mol
  • Pose 7: -8.355 kcal/mol
  • Pose 8: -8.283 kcal/mol
  • Pose 9: -7.94 kcal/mol
CHEMBL404030_dpp4
Energy Plot
RMSD Scatter Plot