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

Docking Result

CHEMBL4458307_dpp4

Atoms: 324
Models: 9
Best Energy: -8.1 kcal/mol

Binding Energies:
  • Pose 1: -8.1 kcal/mol
  • Pose 2: -8.05 kcal/mol
  • Pose 3: -7.949 kcal/mol
  • Pose 4: -7.889 kcal/mol
  • Pose 5: -7.78 kcal/mol
  • Pose 6: -7.755 kcal/mol
  • Pose 7: -7.718 kcal/mol
  • Pose 8: -7.717 kcal/mol
  • Pose 9: -7.511 kcal/mol
CHEMBL4458307_dpp4
Energy Plot
RMSD Scatter Plot