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

Docking Result

CHEMBL4458152_dpp4

Atoms: 333
Models: 9
Best Energy: -9.006 kcal/mol

Binding Energies:
  • Pose 1: -9.006 kcal/mol
  • Pose 2: -8.395 kcal/mol
  • Pose 3: -8.131 kcal/mol
  • Pose 4: -7.912 kcal/mol
  • Pose 5: -7.903 kcal/mol
  • Pose 6: -7.783 kcal/mol
  • Pose 7: -7.735 kcal/mol
  • Pose 8: -7.691 kcal/mol
  • Pose 9: -7.525 kcal/mol
CHEMBL4458152_dpp4
Energy Plot
RMSD Scatter Plot