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

Docking Result

CHEMBL2147183_dpp4

Atoms: 315
Models: 9
Best Energy: -8.557 kcal/mol

Binding Energies:
  • Pose 1: -8.557 kcal/mol
  • Pose 2: -8.036 kcal/mol
  • Pose 3: -7.826 kcal/mol
  • Pose 4: -7.75 kcal/mol
  • Pose 5: -7.681 kcal/mol
  • Pose 6: -7.606 kcal/mol
  • Pose 7: -7.341 kcal/mol
  • Pose 8: -7.337 kcal/mol
  • Pose 9: -7.293 kcal/mol
CHEMBL2147183_dpp4
Energy Plot
RMSD Scatter Plot