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

Docking Result

CHEMBL515597_dpp4

Atoms: 270
Models: 9
Best Energy: -9.31 kcal/mol

Binding Energies:
  • Pose 1: -9.31 kcal/mol
  • Pose 2: -9.216 kcal/mol
  • Pose 3: -8.782 kcal/mol
  • Pose 4: -8.49 kcal/mol
  • Pose 5: -8.483 kcal/mol
  • Pose 6: -8.415 kcal/mol
  • Pose 7: -8.339 kcal/mol
  • Pose 8: -8.028 kcal/mol
  • Pose 9: -7.999 kcal/mol
CHEMBL515597_dpp4
Energy Plot
RMSD Scatter Plot