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

Docking Result

CHEMBL251404_dpp4

Atoms: 270
Models: 9
Best Energy: -8.564 kcal/mol

Binding Energies:
  • Pose 1: -8.564 kcal/mol
  • Pose 2: -8.502 kcal/mol
  • Pose 3: -7.612 kcal/mol
  • Pose 4: -7.331 kcal/mol
  • Pose 5: -7.304 kcal/mol
  • Pose 6: -7.248 kcal/mol
  • Pose 7: -7.195 kcal/mol
  • Pose 8: -7.082 kcal/mol
  • Pose 9: -6.915 kcal/mol
CHEMBL251404_dpp4
Energy Plot
RMSD Scatter Plot