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

Docking Result

CHEMBL398373_dpp4

Atoms: 342
Models: 9
Best Energy: -8.273 kcal/mol

Binding Energies:
  • Pose 1: -8.273 kcal/mol
  • Pose 2: -8.033 kcal/mol
  • Pose 3: -7.958 kcal/mol
  • Pose 4: -7.799 kcal/mol
  • Pose 5: -7.569 kcal/mol
  • Pose 6: -7.43 kcal/mol
  • Pose 7: -7.366 kcal/mol
  • Pose 8: -7.054 kcal/mol
  • Pose 9: -7.015 kcal/mol
CHEMBL398373_dpp4
Energy Plot
RMSD Scatter Plot