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

Docking Result

CHEMBL541664_dpp4

Atoms: 252
Models: 9
Best Energy: -8.036 kcal/mol

Binding Energies:
  • Pose 1: -8.036 kcal/mol
  • Pose 2: -7.888 kcal/mol
  • Pose 3: -7.472 kcal/mol
  • Pose 4: -7.453 kcal/mol
  • Pose 5: -7.051 kcal/mol
  • Pose 6: -6.939 kcal/mol
  • Pose 7: -6.853 kcal/mol
  • Pose 8: -6.752 kcal/mol
  • Pose 9: -6.604 kcal/mol
CHEMBL541664_dpp4
Energy Plot
RMSD Scatter Plot