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

Docking Result

CHEMBL352354_dpp4

Atoms: 261
Models: 9
Best Energy: -7.109 kcal/mol

Binding Energies:
  • Pose 1: -7.109 kcal/mol
  • Pose 2: -6.895 kcal/mol
  • Pose 3: -6.865 kcal/mol
  • Pose 4: -6.773 kcal/mol
  • Pose 5: -6.679 kcal/mol
  • Pose 6: -6.66 kcal/mol
  • Pose 7: -6.588 kcal/mol
  • Pose 8: -6.581 kcal/mol
  • Pose 9: -6.456 kcal/mol
CHEMBL352354_dpp4
Energy Plot
RMSD Scatter Plot