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

Docking Result

CHEMBL1779709_dpp4

Atoms: 270
Models: 9
Best Energy: -7.793 kcal/mol

Binding Energies:
  • Pose 1: -7.793 kcal/mol
  • Pose 2: -7.375 kcal/mol
  • Pose 3: -7.093 kcal/mol
  • Pose 4: -7.034 kcal/mol
  • Pose 5: -6.94 kcal/mol
  • Pose 6: -6.911 kcal/mol
  • Pose 7: -6.896 kcal/mol
  • Pose 8: -6.715 kcal/mol
  • Pose 9: -6.603 kcal/mol
CHEMBL1779709_dpp4
Energy Plot
RMSD Scatter Plot