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

Docking Result

CHEMBL234413_dpp4

Atoms: 171
Models: 9
Best Energy: -6.73 kcal/mol

Binding Energies:
  • Pose 1: -6.73 kcal/mol
  • Pose 2: -6.348 kcal/mol
  • Pose 3: -6.347 kcal/mol
  • Pose 4: -6.206 kcal/mol
  • Pose 5: -5.898 kcal/mol
  • Pose 6: -5.805 kcal/mol
  • Pose 7: -5.801 kcal/mol
  • Pose 8: -5.692 kcal/mol
  • Pose 9: -5.613 kcal/mol
CHEMBL234413_dpp4
Energy Plot
RMSD Scatter Plot