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

Docking Result

CHEMBL3084944_dpp4

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

Binding Energies:
  • Pose 1: -8.483 kcal/mol
  • Pose 2: -8.389 kcal/mol
  • Pose 3: -8.364 kcal/mol
  • Pose 4: -7.963 kcal/mol
  • Pose 5: -7.959 kcal/mol
  • Pose 6: -7.958 kcal/mol
  • Pose 7: -7.902 kcal/mol
  • Pose 8: -7.797 kcal/mol
  • Pose 9: -7.786 kcal/mol
CHEMBL3084944_dpp4
Energy Plot
RMSD Scatter Plot