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

Docking Result

CHEMBL260509_dpp4

Atoms: 207
Models: 9
Best Energy: -6.483 kcal/mol

Binding Energies:
  • Pose 1: -6.483 kcal/mol
  • Pose 2: -6.267 kcal/mol
  • Pose 3: -6.261 kcal/mol
  • Pose 4: -6.129 kcal/mol
  • Pose 5: -6.113 kcal/mol
  • Pose 6: -6.07 kcal/mol
  • Pose 7: -5.912 kcal/mol
  • Pose 8: -5.896 kcal/mol
  • Pose 9: -5.867 kcal/mol
CHEMBL260509_dpp4
Energy Plot
RMSD Scatter Plot