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

Docking Result

CHEMBL5806862_dpp4

Atoms: 351
Models: 9
Best Energy: -9.512 kcal/mol

Binding Energies:
  • Pose 1: -9.512 kcal/mol
  • Pose 2: -9.136 kcal/mol
  • Pose 3: -9.018 kcal/mol
  • Pose 4: -8.746 kcal/mol
  • Pose 5: -8.626 kcal/mol
  • Pose 6: -8.525 kcal/mol
  • Pose 7: -8.45 kcal/mol
  • Pose 8: -8.268 kcal/mol
  • Pose 9: -8.192 kcal/mol
CHEMBL5806862_dpp4
Energy Plot
RMSD Scatter Plot