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

Docking Result

CHEMBL5289339_dpp4

Atoms: 405
Models: 9
Best Energy: -8.678 kcal/mol

Binding Energies:
  • Pose 1: -8.678 kcal/mol
  • Pose 2: -8.513 kcal/mol
  • Pose 3: -8.189 kcal/mol
  • Pose 4: -8.163 kcal/mol
  • Pose 5: -7.927 kcal/mol
  • Pose 6: -7.924 kcal/mol
  • Pose 7: -7.855 kcal/mol
  • Pose 8: -7.78 kcal/mol
  • Pose 9: -7.568 kcal/mol
CHEMBL5289339_dpp4
Energy Plot
RMSD Scatter Plot