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

Docking Result

CHEMBL559601_dpp4

Atoms: 279
Models: 9
Best Energy: -7.031 kcal/mol

Binding Energies:
  • Pose 1: -7.031 kcal/mol
  • Pose 2: -6.907 kcal/mol
  • Pose 3: -6.867 kcal/mol
  • Pose 4: -6.726 kcal/mol
  • Pose 5: -6.706 kcal/mol
  • Pose 6: -6.703 kcal/mol
  • Pose 7: -6.569 kcal/mol
  • Pose 8: -6.401 kcal/mol
  • Pose 9: -6.372 kcal/mol
CHEMBL559601_dpp4
Energy Plot
RMSD Scatter Plot