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

Docking Result

CHEMBL521224_dpp4

Atoms: 252
Models: 9
Best Energy: -7.342 kcal/mol

Binding Energies:
  • Pose 1: -7.342 kcal/mol
  • Pose 2: -7.211 kcal/mol
  • Pose 3: -6.999 kcal/mol
  • Pose 4: -6.989 kcal/mol
  • Pose 5: -6.901 kcal/mol
  • Pose 6: -6.896 kcal/mol
  • Pose 7: -6.867 kcal/mol
  • Pose 8: -6.786 kcal/mol
  • Pose 9: -6.633 kcal/mol
CHEMBL521224_dpp4
Energy Plot
RMSD Scatter Plot