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

Docking Result

CHEMBL232725_dpp4

Atoms: 252
Models: 9
Best Energy: -8.516 kcal/mol

Binding Energies:
  • Pose 1: -8.516 kcal/mol
  • Pose 2: -8.29 kcal/mol
  • Pose 3: -8.276 kcal/mol
  • Pose 4: -7.951 kcal/mol
  • Pose 5: -7.94 kcal/mol
  • Pose 6: -7.906 kcal/mol
  • Pose 7: -7.786 kcal/mol
  • Pose 8: -7.764 kcal/mol
  • Pose 9: -7.724 kcal/mol
CHEMBL232725_dpp4
Energy Plot
RMSD Scatter Plot