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

Docking Result

CHEMBL1650407_dpp4

Atoms: 270
Models: 9
Best Energy: -8.211 kcal/mol

Binding Energies:
  • Pose 1: -8.211 kcal/mol
  • Pose 2: -8.148 kcal/mol
  • Pose 3: -8.114 kcal/mol
  • Pose 4: -8.017 kcal/mol
  • Pose 5: -7.96 kcal/mol
  • Pose 6: -7.925 kcal/mol
  • Pose 7: -7.822 kcal/mol
  • Pose 8: -7.79 kcal/mol
  • Pose 9: -7.604 kcal/mol
CHEMBL1650407_dpp4
Energy Plot
RMSD Scatter Plot