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

Docking Result

CHEMBL1951602_dpp4

Atoms: 333
Models: 9
Best Energy: -8.377 kcal/mol

Binding Energies:
  • Pose 1: -8.377 kcal/mol
  • Pose 2: -8.235 kcal/mol
  • Pose 3: -8.103 kcal/mol
  • Pose 4: -8.099 kcal/mol
  • Pose 5: -8.072 kcal/mol
  • Pose 6: -7.992 kcal/mol
  • Pose 7: -7.954 kcal/mol
  • Pose 8: -7.936 kcal/mol
  • Pose 9: -7.875 kcal/mol
CHEMBL1951602_dpp4
Energy Plot
RMSD Scatter Plot