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

Docking Result

CHEMBL3899590_dpp4

Atoms: 378
Models: 9
Best Energy: -8.395 kcal/mol

Binding Energies:
  • Pose 1: -8.395 kcal/mol
  • Pose 2: -8.223 kcal/mol
  • Pose 3: -8.064 kcal/mol
  • Pose 4: -7.951 kcal/mol
  • Pose 5: -7.923 kcal/mol
  • Pose 6: -7.855 kcal/mol
  • Pose 7: -7.841 kcal/mol
  • Pose 8: -7.831 kcal/mol
  • Pose 9: -7.724 kcal/mol
CHEMBL3899590_dpp4
Energy Plot
RMSD Scatter Plot