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

Docking Result

CHEMBL5409197_dpp4

Atoms: 306
Models: 9
Best Energy: -9.107 kcal/mol

Binding Energies:
  • Pose 1: -9.107 kcal/mol
  • Pose 2: -9.018 kcal/mol
  • Pose 3: -8.365 kcal/mol
  • Pose 4: -8.173 kcal/mol
  • Pose 5: -8.154 kcal/mol
  • Pose 6: -8.064 kcal/mol
  • Pose 7: -8.027 kcal/mol
  • Pose 8: -7.687 kcal/mol
  • Pose 9: -7.519 kcal/mol
CHEMBL5409197_dpp4
Energy Plot
RMSD Scatter Plot