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

Docking Result

CHEMBL5558846_dpp4

Atoms: 531
Models: 9
Best Energy: -8.83 kcal/mol

Binding Energies:
  • Pose 1: -8.83 kcal/mol
  • Pose 2: -8.523 kcal/mol
  • Pose 3: -8.298 kcal/mol
  • Pose 4: -8.262 kcal/mol
  • Pose 5: -8.132 kcal/mol
  • Pose 6: -8.058 kcal/mol
  • Pose 7: -8.029 kcal/mol
  • Pose 8: -7.873 kcal/mol
  • Pose 9: -7.825 kcal/mol
CHEMBL5558846_dpp4
Energy Plot
RMSD Scatter Plot