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

Docking Result

CHEMBL280658_dpp4

Atoms: 171
Models: 9
Best Energy: -7.055 kcal/mol

Binding Energies:
  • Pose 1: -7.055 kcal/mol
  • Pose 2: -6.629 kcal/mol
  • Pose 3: -6.626 kcal/mol
  • Pose 4: -6.468 kcal/mol
  • Pose 5: -6.288 kcal/mol
  • Pose 6: -5.894 kcal/mol
  • Pose 7: -5.809 kcal/mol
  • Pose 8: -5.796 kcal/mol
  • Pose 9: -5.789 kcal/mol
CHEMBL280658_dpp4
Energy Plot
RMSD Scatter Plot