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

Docking Result

CHEMBL487861_dpp4

Atoms: 225
Models: 9
Best Energy: -6.55 kcal/mol

Binding Energies:
  • Pose 1: -6.55 kcal/mol
  • Pose 2: -6.446 kcal/mol
  • Pose 3: -6.36 kcal/mol
  • Pose 4: -6.269 kcal/mol
  • Pose 5: -6.215 kcal/mol
  • Pose 6: -6.203 kcal/mol
  • Pose 7: -6.08 kcal/mol
  • Pose 8: -6.076 kcal/mol
  • Pose 9: -5.934 kcal/mol
CHEMBL487861_dpp4
Energy Plot
RMSD Scatter Plot