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

Docking Result

CHEMBL352632_dpp4

Atoms: 171
Models: 9
Best Energy: -6.096 kcal/mol

Binding Energies:
  • Pose 1: -6.096 kcal/mol
  • Pose 2: -6.088 kcal/mol
  • Pose 3: -6.011 kcal/mol
  • Pose 4: -5.877 kcal/mol
  • Pose 5: -5.806 kcal/mol
  • Pose 6: -5.737 kcal/mol
  • Pose 7: -5.71 kcal/mol
  • Pose 8: -5.494 kcal/mol
  • Pose 9: -5.43 kcal/mol
CHEMBL352632_dpp4
Energy Plot
RMSD Scatter Plot