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

Docking Result

CHEMBL471089_dpp4

Atoms: 189
Models: 9
Best Energy: -6.77 kcal/mol

Binding Energies:
  • Pose 1: -6.77 kcal/mol
  • Pose 2: -6.756 kcal/mol
  • Pose 3: -6.582 kcal/mol
  • Pose 4: -6.515 kcal/mol
  • Pose 5: -6.503 kcal/mol
  • Pose 6: -6.404 kcal/mol
  • Pose 7: -6.376 kcal/mol
  • Pose 8: -6.278 kcal/mol
  • Pose 9: -6.213 kcal/mol
CHEMBL471089_dpp4
Energy Plot
RMSD Scatter Plot