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

Docking Result

CHEMBL4177478_dpp4

Atoms: 261
Models: 9
Best Energy: -7.64 kcal/mol

Binding Energies:
  • Pose 1: -7.64 kcal/mol
  • Pose 2: -7.46 kcal/mol
  • Pose 3: -7.375 kcal/mol
  • Pose 4: -7.297 kcal/mol
  • Pose 5: -7.234 kcal/mol
  • Pose 6: -7.2 kcal/mol
  • Pose 7: -6.999 kcal/mol
  • Pose 8: -6.891 kcal/mol
  • Pose 9: -6.867 kcal/mol
CHEMBL4177478_dpp4
Energy Plot
RMSD Scatter Plot