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

Docking Result

CHEMBL274770_dpp4

Atoms: 252
Models: 9
Best Energy: -7.299 kcal/mol

Binding Energies:
  • Pose 1: -7.299 kcal/mol
  • Pose 2: -7.097 kcal/mol
  • Pose 3: -6.88 kcal/mol
  • Pose 4: -6.851 kcal/mol
  • Pose 5: -6.843 kcal/mol
  • Pose 6: -6.777 kcal/mol
  • Pose 7: -6.761 kcal/mol
  • Pose 8: -6.704 kcal/mol
  • Pose 9: -6.536 kcal/mol
CHEMBL274770_dpp4
Energy Plot
RMSD Scatter Plot