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

Docking Result

CHEMBL1683087_dpp4

Atoms: 270
Models: 9
Best Energy: -8.487 kcal/mol

Binding Energies:
  • Pose 1: -8.487 kcal/mol
  • Pose 2: -8.224 kcal/mol
  • Pose 3: -7.891 kcal/mol
  • Pose 4: -7.787 kcal/mol
  • Pose 5: -7.748 kcal/mol
  • Pose 6: -7.708 kcal/mol
  • Pose 7: -7.435 kcal/mol
  • Pose 8: -7.416 kcal/mol
  • Pose 9: -7.36 kcal/mol
CHEMBL1683087_dpp4
Energy Plot
RMSD Scatter Plot