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

Docking Result

CHEMBL4203639_dpp4

Atoms: 234
Models: 9
Best Energy: -7.371 kcal/mol

Binding Energies:
  • Pose 1: -7.371 kcal/mol
  • Pose 2: -7.267 kcal/mol
  • Pose 3: -6.985 kcal/mol
  • Pose 4: -6.931 kcal/mol
  • Pose 5: -6.91 kcal/mol
  • Pose 6: -6.889 kcal/mol
  • Pose 7: -6.751 kcal/mol
  • Pose 8: -6.735 kcal/mol
  • Pose 9: -6.689 kcal/mol
CHEMBL4203639_dpp4
Energy Plot
RMSD Scatter Plot