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

Docking Result

CHEMBL1650405_dpp4

Atoms: 234
Models: 9
Best Energy: -7.327 kcal/mol

Binding Energies:
  • Pose 1: -7.327 kcal/mol
  • Pose 2: -7.211 kcal/mol
  • Pose 3: -7.143 kcal/mol
  • Pose 4: -7.001 kcal/mol
  • Pose 5: -6.998 kcal/mol
  • Pose 6: -6.986 kcal/mol
  • Pose 7: -6.845 kcal/mol
  • Pose 8: -6.752 kcal/mol
  • Pose 9: -6.647 kcal/mol
CHEMBL1650405_dpp4
Energy Plot
RMSD Scatter Plot