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

Docking Result

CHEMBL4544024_dpp4

Atoms: 333
Models: 9
Best Energy: -8.121 kcal/mol

Binding Energies:
  • Pose 1: -8.121 kcal/mol
  • Pose 2: -8.12 kcal/mol
  • Pose 3: -7.911 kcal/mol
  • Pose 4: -7.696 kcal/mol
  • Pose 5: -7.6 kcal/mol
  • Pose 6: -7.521 kcal/mol
  • Pose 7: -7.424 kcal/mol
  • Pose 8: -7.339 kcal/mol
  • Pose 9: -7.279 kcal/mol
CHEMBL4544024_dpp4
Energy Plot
RMSD Scatter Plot