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

Docking Result

CHEMBL5624477_dpp4

Atoms: 279
Models: 9
Best Energy: -8.806 kcal/mol

Binding Energies:
  • Pose 1: -8.806 kcal/mol
  • Pose 2: -8.407 kcal/mol
  • Pose 3: -8.396 kcal/mol
  • Pose 4: -8.085 kcal/mol
  • Pose 5: -8.08 kcal/mol
  • Pose 6: -8.072 kcal/mol
  • Pose 7: -7.971 kcal/mol
  • Pose 8: -7.87 kcal/mol
  • Pose 9: -7.854 kcal/mol
CHEMBL5624477_dpp4
Energy Plot
RMSD Scatter Plot