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

Docking Result

CHEMBL1650412_dpp4

Atoms: 279
Models: 9
Best Energy: -9.578 kcal/mol

Binding Energies:
  • Pose 1: -9.578 kcal/mol
  • Pose 2: -8.55 kcal/mol
  • Pose 3: -8.381 kcal/mol
  • Pose 4: -8.055 kcal/mol
  • Pose 5: -7.902 kcal/mol
  • Pose 6: -7.882 kcal/mol
  • Pose 7: -7.879 kcal/mol
  • Pose 8: -7.66 kcal/mol
  • Pose 9: -7.628 kcal/mol
CHEMBL1650412_dpp4
Energy Plot
RMSD Scatter Plot