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

Docking Result

CHEMBL255552_dpp4

Atoms: 198
Models: 9
Best Energy: -6.716 kcal/mol

Binding Energies:
  • Pose 1: -6.716 kcal/mol
  • Pose 2: -6.408 kcal/mol
  • Pose 3: -6.358 kcal/mol
  • Pose 4: -6.343 kcal/mol
  • Pose 5: -6.212 kcal/mol
  • Pose 6: -6.121 kcal/mol
  • Pose 7: -5.996 kcal/mol
  • Pose 8: -5.899 kcal/mol
  • Pose 9: -5.845 kcal/mol
CHEMBL255552_dpp4
Energy Plot
RMSD Scatter Plot