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

Docking Result

CHEMBL2069843_dpp4

Atoms: 333
Models: 9
Best Energy: -8.309 kcal/mol

Binding Energies:
  • Pose 1: -8.309 kcal/mol
  • Pose 2: -8.102 kcal/mol
  • Pose 3: -8.092 kcal/mol
  • Pose 4: -8.077 kcal/mol
  • Pose 5: -7.957 kcal/mol
  • Pose 6: -7.885 kcal/mol
  • Pose 7: -7.869 kcal/mol
  • Pose 8: -7.846 kcal/mol
  • Pose 9: -7.802 kcal/mol
CHEMBL2069843_dpp4
Energy Plot
RMSD Scatter Plot