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

Docking Result

CHEMBL178843_dpp4

Atoms: 144
Models: 9
Best Energy: -6.119 kcal/mol

Binding Energies:
  • Pose 1: -6.119 kcal/mol
  • Pose 2: -5.938 kcal/mol
  • Pose 3: -5.938 kcal/mol
  • Pose 4: -5.898 kcal/mol
  • Pose 5: -5.796 kcal/mol
  • Pose 6: -5.769 kcal/mol
  • Pose 7: -5.616 kcal/mol
  • Pose 8: -5.593 kcal/mol
  • Pose 9: -5.564 kcal/mol
CHEMBL178843_dpp4
Energy Plot
RMSD Scatter Plot