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

Docking Result

CHEMBL3913689_dpp4

Atoms: 324
Models: 9
Best Energy: -8.929 kcal/mol

Binding Energies:
  • Pose 1: -8.929 kcal/mol
  • Pose 2: -8.486 kcal/mol
  • Pose 3: -8.414 kcal/mol
  • Pose 4: -8.354 kcal/mol
  • Pose 5: -8.309 kcal/mol
  • Pose 6: -8.25 kcal/mol
  • Pose 7: -8.226 kcal/mol
  • Pose 8: -8.093 kcal/mol
  • Pose 9: -8.05 kcal/mol
CHEMBL3913689_dpp4
Energy Plot
RMSD Scatter Plot