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

Docking Result

CHEMBL1761685_dpp4

Atoms: 315
Models: 9
Best Energy: -8.826 kcal/mol

Binding Energies:
  • Pose 1: -8.826 kcal/mol
  • Pose 2: -8.66 kcal/mol
  • Pose 3: -8.562 kcal/mol
  • Pose 4: -8.493 kcal/mol
  • Pose 5: -8.269 kcal/mol
  • Pose 6: -8.259 kcal/mol
  • Pose 7: -8.22 kcal/mol
  • Pose 8: -7.928 kcal/mol
  • Pose 9: -7.895 kcal/mol
CHEMBL1761685_dpp4
Energy Plot
RMSD Scatter Plot