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

Docking Result

CHEMBL260701_dpp4

Atoms: 189
Models: 9
Best Energy: -6.928 kcal/mol

Binding Energies:
  • Pose 1: -6.928 kcal/mol
  • Pose 2: -6.448 kcal/mol
  • Pose 3: -6.107 kcal/mol
  • Pose 4: -6.077 kcal/mol
  • Pose 5: -6.062 kcal/mol
  • Pose 6: -5.985 kcal/mol
  • Pose 7: -5.848 kcal/mol
  • Pose 8: -5.779 kcal/mol
  • Pose 9: -5.714 kcal/mol
CHEMBL260701_dpp4
Energy Plot
RMSD Scatter Plot