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

Docking Result

CHEMBL4742337_dpp4

Atoms: 414
Models: 9
Best Energy: -9.31 kcal/mol

Binding Energies:
  • Pose 1: -9.31 kcal/mol
  • Pose 2: -9.07 kcal/mol
  • Pose 3: -8.849 kcal/mol
  • Pose 4: -8.778 kcal/mol
  • Pose 5: -8.686 kcal/mol
  • Pose 6: -8.577 kcal/mol
  • Pose 7: -8.395 kcal/mol
  • Pose 8: -8.388 kcal/mol
  • Pose 9: -8.371 kcal/mol
CHEMBL4742337_dpp4
Energy Plot
RMSD Scatter Plot