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

Docking Result

CHEMBL471834_dpp4

Atoms: 369
Models: 9
Best Energy: -8.969 kcal/mol

Binding Energies:
  • Pose 1: -8.969 kcal/mol
  • Pose 2: -8.738 kcal/mol
  • Pose 3: -8.67 kcal/mol
  • Pose 4: -8.558 kcal/mol
  • Pose 5: -8.248 kcal/mol
  • Pose 6: -8.233 kcal/mol
  • Pose 7: -8.069 kcal/mol
  • Pose 8: -8.066 kcal/mol
  • Pose 9: -7.967 kcal/mol
CHEMBL471834_dpp4
Energy Plot
RMSD Scatter Plot