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

Docking Result

CHEMBL251376_dpp4

Atoms: 279
Models: 9
Best Energy: -8.652 kcal/mol

Binding Energies:
  • Pose 1: -8.652 kcal/mol
  • Pose 2: -8.577 kcal/mol
  • Pose 3: -7.956 kcal/mol
  • Pose 4: -7.955 kcal/mol
  • Pose 5: -7.806 kcal/mol
  • Pose 6: -7.458 kcal/mol
  • Pose 7: -7.416 kcal/mol
  • Pose 8: -7.402 kcal/mol
  • Pose 9: -7.297 kcal/mol
CHEMBL251376_dpp4
Energy Plot
RMSD Scatter Plot