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

Docking Result

CHEMBL75589_dpp4

Atoms: 243
Models: 9
Best Energy: -7.991 kcal/mol

Binding Energies:
  • Pose 1: -7.991 kcal/mol
  • Pose 2: -7.936 kcal/mol
  • Pose 3: -7.365 kcal/mol
  • Pose 4: -7.153 kcal/mol
  • Pose 5: -7.11 kcal/mol
  • Pose 6: -7.075 kcal/mol
  • Pose 7: -6.919 kcal/mol
  • Pose 8: -6.908 kcal/mol
  • Pose 9: -6.896 kcal/mol
CHEMBL75589_dpp4
Energy Plot
RMSD Scatter Plot