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

Docking Result

CHEMBL3806239_dpp4

Atoms: 279
Models: 9
Best Energy: -8.915 kcal/mol

Binding Energies:
  • Pose 1: -8.915 kcal/mol
  • Pose 2: -8.635 kcal/mol
  • Pose 3: -8.426 kcal/mol
  • Pose 4: -8.311 kcal/mol
  • Pose 5: -8.277 kcal/mol
  • Pose 6: -8.108 kcal/mol
  • Pose 7: -8.002 kcal/mol
  • Pose 8: -7.582 kcal/mol
  • Pose 9: -7.444 kcal/mol
CHEMBL3806239_dpp4
Energy Plot
RMSD Scatter Plot