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

Docking Result

CHEMBL1650443_dpp4

Atoms: 252
Models: 9
Best Energy: -7.912 kcal/mol

Binding Energies:
  • Pose 1: -7.912 kcal/mol
  • Pose 2: -7.802 kcal/mol
  • Pose 3: -7.702 kcal/mol
  • Pose 4: -7.505 kcal/mol
  • Pose 5: -7.37 kcal/mol
  • Pose 6: -7.327 kcal/mol
  • Pose 7: -7.15 kcal/mol
  • Pose 8: -7.133 kcal/mol
  • Pose 9: -7.045 kcal/mol
CHEMBL1650443_dpp4
Energy Plot
RMSD Scatter Plot