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

Docking Result

CHEMBL214381_dpp4

Atoms: 252
Models: 9
Best Energy: -6.785 kcal/mol

Binding Energies:
  • Pose 1: -6.785 kcal/mol
  • Pose 2: -6.672 kcal/mol
  • Pose 3: -6.502 kcal/mol
  • Pose 4: -6.44 kcal/mol
  • Pose 5: -6.42 kcal/mol
  • Pose 6: -6.416 kcal/mol
  • Pose 7: -6.407 kcal/mol
  • Pose 8: -6.204 kcal/mol
  • Pose 9: -6.016 kcal/mol
CHEMBL214381_dpp4
Energy Plot
RMSD Scatter Plot