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

Docking Result

CHEMBL1951426_dpp4

Atoms: 324
Models: 9
Best Energy: -8.856 kcal/mol

Binding Energies:
  • Pose 1: -8.856 kcal/mol
  • Pose 2: -8.505 kcal/mol
  • Pose 3: -8.32 kcal/mol
  • Pose 4: -8.261 kcal/mol
  • Pose 5: -8.162 kcal/mol
  • Pose 6: -8.097 kcal/mol
  • Pose 7: -7.877 kcal/mol
  • Pose 8: -7.857 kcal/mol
  • Pose 9: -7.848 kcal/mol
CHEMBL1951426_dpp4
Energy Plot
RMSD Scatter Plot