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

Docking Result

CHEMBL224419_dpp4

Atoms: 198
Models: 9
Best Energy: -6.172 kcal/mol

Binding Energies:
  • Pose 1: -6.172 kcal/mol
  • Pose 2: -5.991 kcal/mol
  • Pose 3: -5.957 kcal/mol
  • Pose 4: -5.952 kcal/mol
  • Pose 5: -5.853 kcal/mol
  • Pose 6: -5.835 kcal/mol
  • Pose 7: -5.822 kcal/mol
  • Pose 8: -5.659 kcal/mol
  • Pose 9: -5.608 kcal/mol
CHEMBL224419_dpp4
Energy Plot
RMSD Scatter Plot