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

Docking Result

CHEMBL514617_dpp4

Atoms: 270
Models: 9
Best Energy: -8.012 kcal/mol

Binding Energies:
  • Pose 1: -8.012 kcal/mol
  • Pose 2: -7.023 kcal/mol
  • Pose 3: -6.803 kcal/mol
  • Pose 4: -6.785 kcal/mol
  • Pose 5: -6.584 kcal/mol
  • Pose 6: -6.561 kcal/mol
  • Pose 7: -6.461 kcal/mol
  • Pose 8: -6.369 kcal/mol
  • Pose 9: -6.358 kcal/mol
CHEMBL514617_dpp4
Energy Plot
RMSD Scatter Plot