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

Docking Result

CHEMBL231551_dpp4

Atoms: 279
Models: 9
Best Energy: -7.975 kcal/mol

Binding Energies:
  • Pose 1: -7.975 kcal/mol
  • Pose 2: -7.965 kcal/mol
  • Pose 3: -7.764 kcal/mol
  • Pose 4: -7.739 kcal/mol
  • Pose 5: -7.661 kcal/mol
  • Pose 6: -7.227 kcal/mol
  • Pose 7: -7.226 kcal/mol
  • Pose 8: -7.217 kcal/mol
  • Pose 9: -7.081 kcal/mol
CHEMBL231551_dpp4
Energy Plot
RMSD Scatter Plot