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

Docking Result

CHEMBL4760965_dpp4

Atoms: 252
Models: 9
Best Energy: -8.313 kcal/mol

Binding Energies:
  • Pose 1: -8.313 kcal/mol
  • Pose 2: -8.296 kcal/mol
  • Pose 3: -7.966 kcal/mol
  • Pose 4: -7.834 kcal/mol
  • Pose 5: -7.714 kcal/mol
  • Pose 6: -7.686 kcal/mol
  • Pose 7: -7.608 kcal/mol
  • Pose 8: -7.604 kcal/mol
  • Pose 9: -7.514 kcal/mol
CHEMBL4760965_dpp4
Energy Plot
RMSD Scatter Plot