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

Docking Result

CHEMBL5278621_dpp4

Atoms: 342
Models: 9
Best Energy: -9.167 kcal/mol

Binding Energies:
  • Pose 1: -9.167 kcal/mol
  • Pose 2: -8.751 kcal/mol
  • Pose 3: -8.53 kcal/mol
  • Pose 4: -8.328 kcal/mol
  • Pose 5: -8.305 kcal/mol
  • Pose 6: -8.252 kcal/mol
  • Pose 7: -8.187 kcal/mol
  • Pose 8: -8.059 kcal/mol
  • Pose 9: -8.015 kcal/mol
CHEMBL5278621_dpp4
Energy Plot
RMSD Scatter Plot