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

Docking Result

CHEMBL1243126_dpp4

Atoms: 261
Models: 9
Best Energy: -8.753 kcal/mol

Binding Energies:
  • Pose 1: -8.753 kcal/mol
  • Pose 2: -8.674 kcal/mol
  • Pose 3: -8.469 kcal/mol
  • Pose 4: -8.298 kcal/mol
  • Pose 5: -8.067 kcal/mol
  • Pose 6: -8.048 kcal/mol
  • Pose 7: -7.926 kcal/mol
  • Pose 8: -7.875 kcal/mol
  • Pose 9: -7.86 kcal/mol
CHEMBL1243126_dpp4
Energy Plot
RMSD Scatter Plot