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

Docking Result

CHEMBL241246_dpp4

Atoms: 243
Models: 9
Best Energy: -6.972 kcal/mol

Binding Energies:
  • Pose 1: -6.972 kcal/mol
  • Pose 2: -6.909 kcal/mol
  • Pose 3: -6.896 kcal/mol
  • Pose 4: -6.859 kcal/mol
  • Pose 5: -6.76 kcal/mol
  • Pose 6: -6.756 kcal/mol
  • Pose 7: -6.712 kcal/mol
  • Pose 8: -6.567 kcal/mol
  • Pose 9: -6.471 kcal/mol
CHEMBL241246_dpp4
Energy Plot
RMSD Scatter Plot