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

Docking Result

CHEMBL5414115_dpp4

Atoms: 225
Models: 9
Best Energy: -8.269 kcal/mol

Binding Energies:
  • Pose 1: -8.269 kcal/mol
  • Pose 2: -8.107 kcal/mol
  • Pose 3: -7.66 kcal/mol
  • Pose 4: -7.64 kcal/mol
  • Pose 5: -7.483 kcal/mol
  • Pose 6: -7.133 kcal/mol
  • Pose 7: -7.116 kcal/mol
  • Pose 8: -7.009 kcal/mol
  • Pose 9: -6.934 kcal/mol
CHEMBL5414115_dpp4
Energy Plot
RMSD Scatter Plot