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

Docking Result

CHEMBL5414427_dpp4

Atoms: 324
Models: 9
Best Energy: -10.084 kcal/mol

Binding Energies:
  • Pose 1: -10.084 kcal/mol
  • Pose 2: -9.768 kcal/mol
  • Pose 3: -9.764 kcal/mol
  • Pose 4: -9.096 kcal/mol
  • Pose 5: -8.964 kcal/mol
  • Pose 6: -8.769 kcal/mol
  • Pose 7: -8.752 kcal/mol
  • Pose 8: -8.668 kcal/mol
  • Pose 9: -7.882 kcal/mol
CHEMBL5414427_dpp4
Energy Plot
RMSD Scatter Plot