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

Docking Result

CHEMBL2022521_dpp4

Atoms: 252
Models: 9
Best Energy: -8.221 kcal/mol

Binding Energies:
  • Pose 1: -8.221 kcal/mol
  • Pose 2: -8.034 kcal/mol
  • Pose 3: -8.026 kcal/mol
  • Pose 4: -7.956 kcal/mol
  • Pose 5: -7.924 kcal/mol
  • Pose 6: -7.902 kcal/mol
  • Pose 7: -7.891 kcal/mol
  • Pose 8: -7.865 kcal/mol
  • Pose 9: -7.825 kcal/mol
CHEMBL2022521_dpp4
Energy Plot
RMSD Scatter Plot