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

Docking Result

CHEMBL399726_dpp4

Atoms: 270
Models: 9
Best Energy: -8.492 kcal/mol

Binding Energies:
  • Pose 1: -8.492 kcal/mol
  • Pose 2: -8.254 kcal/mol
  • Pose 3: -8.239 kcal/mol
  • Pose 4: -8.076 kcal/mol
  • Pose 5: -8.023 kcal/mol
  • Pose 6: -7.996 kcal/mol
  • Pose 7: -7.961 kcal/mol
  • Pose 8: -7.836 kcal/mol
  • Pose 9: -7.724 kcal/mol
CHEMBL399726_dpp4
Energy Plot
RMSD Scatter Plot