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

Docking Result

CHEMBL487862_dpp4

Atoms: 252
Models: 9
Best Energy: -7.599 kcal/mol

Binding Energies:
  • Pose 1: -7.599 kcal/mol
  • Pose 2: -7.388 kcal/mol
  • Pose 3: -7.334 kcal/mol
  • Pose 4: -7.305 kcal/mol
  • Pose 5: -7.268 kcal/mol
  • Pose 6: -7.24 kcal/mol
  • Pose 7: -7.087 kcal/mol
  • Pose 8: -6.946 kcal/mol
  • Pose 9: -6.903 kcal/mol
CHEMBL487862_dpp4
Energy Plot
RMSD Scatter Plot