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

Docking Result

CHEMBL233136_dpp4

Atoms: 261
Models: 9
Best Energy: -8.27 kcal/mol

Binding Energies:
  • Pose 1: -8.27 kcal/mol
  • Pose 2: -8.065 kcal/mol
  • Pose 3: -8.021 kcal/mol
  • Pose 4: -7.958 kcal/mol
  • Pose 5: -7.865 kcal/mol
  • Pose 6: -7.841 kcal/mol
  • Pose 7: -7.73 kcal/mol
  • Pose 8: -7.655 kcal/mol
  • Pose 9: -7.412 kcal/mol
CHEMBL233136_dpp4
Energy Plot
RMSD Scatter Plot