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

Docking Result

CHEMBL217271_dpp4

Atoms: 297
Models: 9
Best Energy: -6.281 kcal/mol

Binding Energies:
  • Pose 1: -6.281 kcal/mol
  • Pose 2: -6.197 kcal/mol
  • Pose 3: -6.018 kcal/mol
  • Pose 4: -5.972 kcal/mol
  • Pose 5: -5.93 kcal/mol
  • Pose 6: -5.619 kcal/mol
  • Pose 7: -5.585 kcal/mol
  • Pose 8: -5.567 kcal/mol
  • Pose 9: -5.292 kcal/mol
CHEMBL217271_dpp4
Energy Plot
RMSD Scatter Plot