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

Docking Result

CHEMBL4101425_dpp4

Atoms: 270
Models: 9
Best Energy: -7.956 kcal/mol

Binding Energies:
  • Pose 1: -7.956 kcal/mol
  • Pose 2: -7.446 kcal/mol
  • Pose 3: -7.182 kcal/mol
  • Pose 4: -7.176 kcal/mol
  • Pose 5: -6.97 kcal/mol
  • Pose 6: -6.927 kcal/mol
  • Pose 7: -6.907 kcal/mol
  • Pose 8: -6.861 kcal/mol
  • Pose 9: -6.799 kcal/mol
CHEMBL4101425_dpp4
Energy Plot
RMSD Scatter Plot