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

Docking Result

CHEMBL2408771_dpp4

Atoms: 324
Models: 9
Best Energy: -9.527 kcal/mol

Binding Energies:
  • Pose 1: -9.527 kcal/mol
  • Pose 2: -8.91 kcal/mol
  • Pose 3: -8.904 kcal/mol
  • Pose 4: -8.85 kcal/mol
  • Pose 5: -8.796 kcal/mol
  • Pose 6: -8.711 kcal/mol
  • Pose 7: -8.59 kcal/mol
  • Pose 8: -8.242 kcal/mol
  • Pose 9: -7.957 kcal/mol
CHEMBL2408771_dpp4
Energy Plot
RMSD Scatter Plot