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

Docking Result

CHEMBL93505_dpp4

Atoms: 153
Models: 9
Best Energy: -5.108 kcal/mol

Binding Energies:
  • Pose 1: -5.108 kcal/mol
  • Pose 2: -4.992 kcal/mol
  • Pose 3: -4.983 kcal/mol
  • Pose 4: -4.912 kcal/mol
  • Pose 5: -4.869 kcal/mol
  • Pose 6: -4.832 kcal/mol
  • Pose 7: -4.815 kcal/mol
  • Pose 8: -4.753 kcal/mol
  • Pose 9: -4.721 kcal/mol
CHEMBL93505_dpp4
Energy Plot
RMSD Scatter Plot