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

Docking Result

CHEMBL5275234_dpp4

Atoms: 288
Models: 9
Best Energy: -8.343 kcal/mol

Binding Energies:
  • Pose 1: -8.343 kcal/mol
  • Pose 2: -8.32 kcal/mol
  • Pose 3: -8.299 kcal/mol
  • Pose 4: -8.226 kcal/mol
  • Pose 5: -8.156 kcal/mol
  • Pose 6: -8.083 kcal/mol
  • Pose 7: -8.037 kcal/mol
  • Pose 8: -7.898 kcal/mol
  • Pose 9: -7.889 kcal/mol
CHEMBL5275234_dpp4
Energy Plot
RMSD Scatter Plot