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

Docking Result

CHEMBL4087191_dpp4

Atoms: 234
Models: 9
Best Energy: -7.713 kcal/mol

Binding Energies:
  • Pose 1: -7.713 kcal/mol
  • Pose 2: -7.069 kcal/mol
  • Pose 3: -6.762 kcal/mol
  • Pose 4: -6.707 kcal/mol
  • Pose 5: -6.667 kcal/mol
  • Pose 6: -6.586 kcal/mol
  • Pose 7: -6.463 kcal/mol
  • Pose 8: -6.273 kcal/mol
  • Pose 9: -6.242 kcal/mol
CHEMBL4087191_dpp4
Energy Plot
RMSD Scatter Plot