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

Docking Result

CHEMBL4081741_dpp4

Atoms: 315
Models: 9
Best Energy: -7.957 kcal/mol

Binding Energies:
  • Pose 1: -7.957 kcal/mol
  • Pose 2: -7.755 kcal/mol
  • Pose 3: -7.144 kcal/mol
  • Pose 4: -7.021 kcal/mol
  • Pose 5: -6.958 kcal/mol
  • Pose 6: -6.943 kcal/mol
  • Pose 7: -6.853 kcal/mol
  • Pose 8: -6.79 kcal/mol
  • Pose 9: -6.667 kcal/mol
CHEMBL4081741_dpp4
Energy Plot
RMSD Scatter Plot