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

Docking Result

CHEMBL4172793_dpp4

Atoms: 279
Models: 9
Best Energy: -8.67 kcal/mol

Binding Energies:
  • Pose 1: -8.67 kcal/mol
  • Pose 2: -7.967 kcal/mol
  • Pose 3: -7.966 kcal/mol
  • Pose 4: -7.856 kcal/mol
  • Pose 5: -7.788 kcal/mol
  • Pose 6: -7.773 kcal/mol
  • Pose 7: -7.718 kcal/mol
  • Pose 8: -7.501 kcal/mol
  • Pose 9: -7.404 kcal/mol
CHEMBL4172793_dpp4
Energy Plot
RMSD Scatter Plot