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

Docking Result

CHEMBL409010_dpp4

Atoms: 189
Models: 9
Best Energy: -6.101 kcal/mol

Binding Energies:
  • Pose 1: -6.101 kcal/mol
  • Pose 2: -6.078 kcal/mol
  • Pose 3: -6.029 kcal/mol
  • Pose 4: -6.013 kcal/mol
  • Pose 5: -5.967 kcal/mol
  • Pose 6: -5.765 kcal/mol
  • Pose 7: -5.641 kcal/mol
  • Pose 8: -5.604 kcal/mol
  • Pose 9: -5.543 kcal/mol
CHEMBL409010_dpp4
Energy Plot
RMSD Scatter Plot