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

Docking Result

CHEMBL4745889_dpp4

Atoms: 261
Models: 9
Best Energy: -8.462 kcal/mol

Binding Energies:
  • Pose 1: -8.462 kcal/mol
  • Pose 2: -8.286 kcal/mol
  • Pose 3: -7.916 kcal/mol
  • Pose 4: -7.793 kcal/mol
  • Pose 5: -7.74 kcal/mol
  • Pose 6: -7.74 kcal/mol
  • Pose 7: -7.498 kcal/mol
  • Pose 8: -7.474 kcal/mol
  • Pose 9: -7.39 kcal/mol
CHEMBL4745889_dpp4
Energy Plot
RMSD Scatter Plot