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

Docking Result

CHEMBL428065_dpp4

Atoms: 198
Models: 9
Best Energy: -7.062 kcal/mol

Binding Energies:
  • Pose 1: -7.062 kcal/mol
  • Pose 2: -6.65 kcal/mol
  • Pose 3: -6.447 kcal/mol
  • Pose 4: -6.318 kcal/mol
  • Pose 5: -6.134 kcal/mol
  • Pose 6: -6.132 kcal/mol
  • Pose 7: -6.123 kcal/mol
  • Pose 8: -6.083 kcal/mol
  • Pose 9: -6.009 kcal/mol
CHEMBL428065_dpp4
Energy Plot
RMSD Scatter Plot