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

Docking Result

CHEMBL1951433_dpp4

Atoms: 342
Models: 9
Best Energy: -9.179 kcal/mol

Binding Energies:
  • Pose 1: -9.179 kcal/mol
  • Pose 2: -9.165 kcal/mol
  • Pose 3: -8.983 kcal/mol
  • Pose 4: -8.76 kcal/mol
  • Pose 5: -8.743 kcal/mol
  • Pose 6: -8.64 kcal/mol
  • Pose 7: -8.626 kcal/mol
  • Pose 8: -8.606 kcal/mol
  • Pose 9: -8.32 kcal/mol
CHEMBL1951433_dpp4
Energy Plot
RMSD Scatter Plot