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

Docking Result

CHEMBL562467_dpp4

Atoms: 315
Models: 9
Best Energy: -8.889 kcal/mol

Binding Energies:
  • Pose 1: -8.889 kcal/mol
  • Pose 2: -8.837 kcal/mol
  • Pose 3: -8.652 kcal/mol
  • Pose 4: -8.526 kcal/mol
  • Pose 5: -8.497 kcal/mol
  • Pose 6: -8.421 kcal/mol
  • Pose 7: -8.404 kcal/mol
  • Pose 8: -8.248 kcal/mol
  • Pose 9: -8.217 kcal/mol
CHEMBL562467_dpp4
Energy Plot
RMSD Scatter Plot