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

Docking Result

CHEMBL389624_dpp4

Atoms: 261
Models: 9
Best Energy: -7.518 kcal/mol

Binding Energies:
  • Pose 1: -7.518 kcal/mol
  • Pose 2: -7.39 kcal/mol
  • Pose 3: -7.076 kcal/mol
  • Pose 4: -7.073 kcal/mol
  • Pose 5: -7.016 kcal/mol
  • Pose 6: -6.956 kcal/mol
  • Pose 7: -6.854 kcal/mol
  • Pose 8: -6.845 kcal/mol
  • Pose 9: -6.771 kcal/mol
CHEMBL389624_dpp4
Energy Plot
RMSD Scatter Plot