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

Docking Result

CHEMBL389324_dpp4

Atoms: 234
Models: 9
Best Energy: -8.444 kcal/mol

Binding Energies:
  • Pose 1: -8.444 kcal/mol
  • Pose 2: -7.895 kcal/mol
  • Pose 3: -7.834 kcal/mol
  • Pose 4: -7.695 kcal/mol
  • Pose 5: -7.547 kcal/mol
  • Pose 6: -7.456 kcal/mol
  • Pose 7: -7.437 kcal/mol
  • Pose 8: -7.372 kcal/mol
  • Pose 9: -7.351 kcal/mol
CHEMBL389324_dpp4
Energy Plot
RMSD Scatter Plot