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

Docking Result

CHEMBL394165_dpp4

Atoms: 216
Models: 9
Best Energy: -6.906 kcal/mol

Binding Energies:
  • Pose 1: -6.906 kcal/mol
  • Pose 2: -6.593 kcal/mol
  • Pose 3: -6.478 kcal/mol
  • Pose 4: -6.476 kcal/mol
  • Pose 5: -6.42 kcal/mol
  • Pose 6: -6.37 kcal/mol
  • Pose 7: -6.339 kcal/mol
  • Pose 8: -6.267 kcal/mol
  • Pose 9: -6.084 kcal/mol
CHEMBL394165_dpp4
Energy Plot
RMSD Scatter Plot