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

Docking Result

CHEMBL5276298_dpp4

Atoms: 405
Models: 9
Best Energy: -8.677 kcal/mol

Binding Energies:
  • Pose 1: -8.677 kcal/mol
  • Pose 2: -8.649 kcal/mol
  • Pose 3: -8.39 kcal/mol
  • Pose 4: -8.338 kcal/mol
  • Pose 5: -8.337 kcal/mol
  • Pose 6: -8.336 kcal/mol
  • Pose 7: -8.323 kcal/mol
  • Pose 8: -8.297 kcal/mol
  • Pose 9: -8.253 kcal/mol
CHEMBL5276298_dpp4
Energy Plot
RMSD Scatter Plot