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

Docking Result

CHEMBL1683125_dpp4

Atoms: 270
Models: 9
Best Energy: -8.803 kcal/mol

Binding Energies:
  • Pose 1: -8.803 kcal/mol
  • Pose 2: -8.424 kcal/mol
  • Pose 3: -8.37 kcal/mol
  • Pose 4: -8.362 kcal/mol
  • Pose 5: -8.05 kcal/mol
  • Pose 6: -8.039 kcal/mol
  • Pose 7: -7.981 kcal/mol
  • Pose 8: -7.877 kcal/mol
  • Pose 9: -7.87 kcal/mol
CHEMBL1683125_dpp4
Energy Plot
RMSD Scatter Plot