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

Docking Result

CHEMBL367660_dpp4

Atoms: 153
Models: 9
Best Energy: -6.972 kcal/mol

Binding Energies:
  • Pose 1: -6.972 kcal/mol
  • Pose 2: -6.924 kcal/mol
  • Pose 3: -6.687 kcal/mol
  • Pose 4: -6.351 kcal/mol
  • Pose 5: -6.339 kcal/mol
  • Pose 6: -6.242 kcal/mol
  • Pose 7: -6.185 kcal/mol
  • Pose 8: -6.171 kcal/mol
  • Pose 9: -6.091 kcal/mol
CHEMBL367660_dpp4
Energy Plot
RMSD Scatter Plot