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

Docking Result

CHEMBL94908_dpp4

Atoms: 153
Models: 9
Best Energy: -6.156 kcal/mol

Binding Energies:
  • Pose 1: -6.156 kcal/mol
  • Pose 2: -6.07 kcal/mol
  • Pose 3: -6.036 kcal/mol
  • Pose 4: -5.954 kcal/mol
  • Pose 5: -5.91 kcal/mol
  • Pose 6: -5.892 kcal/mol
  • Pose 7: -5.874 kcal/mol
  • Pose 8: -5.865 kcal/mol
  • Pose 9: -5.831 kcal/mol
CHEMBL94908_dpp4
Energy Plot
RMSD Scatter Plot