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

Docking Result

CHEMBL5414516_dpp4

Atoms: 270
Models: 9
Best Energy: -8.264 kcal/mol

Binding Energies:
  • Pose 1: -8.264 kcal/mol
  • Pose 2: -7.837 kcal/mol
  • Pose 3: -7.242 kcal/mol
  • Pose 4: -7.039 kcal/mol
  • Pose 5: -7.014 kcal/mol
  • Pose 6: -7.012 kcal/mol
  • Pose 7: -6.927 kcal/mol
  • Pose 8: -6.902 kcal/mol
  • Pose 9: -6.897 kcal/mol
CHEMBL5414516_dpp4
Energy Plot
RMSD Scatter Plot