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

Docking Result

CHEMBL6167214_dpp4

Atoms: 207
Models: 9
Best Energy: -6.729 kcal/mol

Binding Energies:
  • Pose 1: -6.729 kcal/mol
  • Pose 2: -6.706 kcal/mol
  • Pose 3: -6.646 kcal/mol
  • Pose 4: -6.553 kcal/mol
  • Pose 5: -6.447 kcal/mol
  • Pose 6: -6.37 kcal/mol
  • Pose 7: -6.327 kcal/mol
  • Pose 8: -6.237 kcal/mol
  • Pose 9: -6.13 kcal/mol
CHEMBL6167214_dpp4
Energy Plot
RMSD Scatter Plot