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

Docking Result

CHEMBL3233556_dpp4

Atoms: 189
Models: 9
Best Energy: -7.088 kcal/mol

Binding Energies:
  • Pose 1: -7.088 kcal/mol
  • Pose 2: -7.061 kcal/mol
  • Pose 3: -7.032 kcal/mol
  • Pose 4: -7 kcal/mol
  • Pose 5: -6.975 kcal/mol
  • Pose 6: -6.9 kcal/mol
  • Pose 7: -6.867 kcal/mol
  • Pose 8: -6.74 kcal/mol
  • Pose 9: -6.687 kcal/mol
CHEMBL3233556_dpp4
Energy Plot
RMSD Scatter Plot