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

Docking Result

CHEMBL4764120_dpp4

Atoms: 252
Models: 9
Best Energy: -8.411 kcal/mol

Binding Energies:
  • Pose 1: -8.411 kcal/mol
  • Pose 2: -8.16 kcal/mol
  • Pose 3: -8.132 kcal/mol
  • Pose 4: -7.964 kcal/mol
  • Pose 5: -7.904 kcal/mol
  • Pose 6: -7.857 kcal/mol
  • Pose 7: -7.849 kcal/mol
  • Pose 8: -7.427 kcal/mol
  • Pose 9: -7.413 kcal/mol
CHEMBL4764120_dpp4
Energy Plot
RMSD Scatter Plot