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

Docking Result

CHEMBL423108_dpp4

Atoms: 315
Models: 9
Best Energy: -8.885 kcal/mol

Binding Energies:
  • Pose 1: -8.885 kcal/mol
  • Pose 2: -8.6 kcal/mol
  • Pose 3: -8.265 kcal/mol
  • Pose 4: -7.949 kcal/mol
  • Pose 5: -7.898 kcal/mol
  • Pose 6: -7.855 kcal/mol
  • Pose 7: -7.847 kcal/mol
  • Pose 8: -7.733 kcal/mol
  • Pose 9: -7.72 kcal/mol
CHEMBL423108_dpp4
Energy Plot
RMSD Scatter Plot