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

Docking Result

CHEMBL4165788_dpp4

Atoms: 315
Models: 9
Best Energy: -8.332 kcal/mol

Binding Energies:
  • Pose 1: -8.332 kcal/mol
  • Pose 2: -8.241 kcal/mol
  • Pose 3: -8.072 kcal/mol
  • Pose 4: -7.996 kcal/mol
  • Pose 5: -7.964 kcal/mol
  • Pose 6: -7.94 kcal/mol
  • Pose 7: -7.898 kcal/mol
  • Pose 8: -7.69 kcal/mol
  • Pose 9: -7.597 kcal/mol
CHEMBL4165788_dpp4
Energy Plot
RMSD Scatter Plot