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

Docking Result

CHEMBL5219996_dpp4

Atoms: 369
Models: 9
Best Energy: -8.118 kcal/mol

Binding Energies:
  • Pose 1: -8.118 kcal/mol
  • Pose 2: -7.77 kcal/mol
  • Pose 3: -7.751 kcal/mol
  • Pose 4: -7.711 kcal/mol
  • Pose 5: -7.52 kcal/mol
  • Pose 6: -7.428 kcal/mol
  • Pose 7: -7.411 kcal/mol
  • Pose 8: -7.327 kcal/mol
  • Pose 9: -7.097 kcal/mol
CHEMBL5219996_dpp4
Energy Plot
RMSD Scatter Plot