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

Docking Result

CHEMBL242492_dpp4

Atoms: 189
Models: 9
Best Energy: -7.043 kcal/mol

Binding Energies:
  • Pose 1: -7.043 kcal/mol
  • Pose 2: -7.005 kcal/mol
  • Pose 3: -6.961 kcal/mol
  • Pose 4: -6.958 kcal/mol
  • Pose 5: -6.886 kcal/mol
  • Pose 6: -6.867 kcal/mol
  • Pose 7: -6.823 kcal/mol
  • Pose 8: -6.787 kcal/mol
  • Pose 9: -6.753 kcal/mol
CHEMBL242492_dpp4
Energy Plot
RMSD Scatter Plot