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

Docking Result

CHEMBL549432_dpp4

Atoms: 297
Models: 9
Best Energy: -7.335 kcal/mol

Binding Energies:
  • Pose 1: -7.335 kcal/mol
  • Pose 2: -7.239 kcal/mol
  • Pose 3: -7.061 kcal/mol
  • Pose 4: -7.011 kcal/mol
  • Pose 5: -6.948 kcal/mol
  • Pose 6: -6.902 kcal/mol
  • Pose 7: -6.735 kcal/mol
  • Pose 8: -6.686 kcal/mol
  • Pose 9: -6.371 kcal/mol
CHEMBL549432_dpp4
Energy Plot
RMSD Scatter Plot