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

Docking Result

CHEMBL5408738_dpp4

Atoms: 396
Models: 9
Best Energy: -8.709 kcal/mol

Binding Energies:
  • Pose 1: -8.709 kcal/mol
  • Pose 2: -8.638 kcal/mol
  • Pose 3: -8.5 kcal/mol
  • Pose 4: -8.482 kcal/mol
  • Pose 5: -8.426 kcal/mol
  • Pose 6: -8.391 kcal/mol
  • Pose 7: -8.284 kcal/mol
  • Pose 8: -8.268 kcal/mol
  • Pose 9: -7.902 kcal/mol
CHEMBL5408738_dpp4
Energy Plot
RMSD Scatter Plot