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

Docking Result

CHEMBL1650414_dpp4

Atoms: 279
Models: 9
Best Energy: -8.483 kcal/mol

Binding Energies:
  • Pose 1: -8.483 kcal/mol
  • Pose 2: -8.248 kcal/mol
  • Pose 3: -8.151 kcal/mol
  • Pose 4: -8.106 kcal/mol
  • Pose 5: -8.089 kcal/mol
  • Pose 6: -7.977 kcal/mol
  • Pose 7: -7.933 kcal/mol
  • Pose 8: -7.913 kcal/mol
  • Pose 9: -7.765 kcal/mol
CHEMBL1650414_dpp4
Energy Plot
RMSD Scatter Plot