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

Docking Result

CHEMBL2159175_dpp4

Atoms: 243
Models: 9
Best Energy: -7.749 kcal/mol

Binding Energies:
  • Pose 1: -7.749 kcal/mol
  • Pose 2: -7.425 kcal/mol
  • Pose 3: -7.253 kcal/mol
  • Pose 4: -7.107 kcal/mol
  • Pose 5: -6.96 kcal/mol
  • Pose 6: -6.893 kcal/mol
  • Pose 7: -6.799 kcal/mol
  • Pose 8: -6.748 kcal/mol
  • Pose 9: -6.737 kcal/mol
CHEMBL2159175_dpp4
Energy Plot
RMSD Scatter Plot