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

Docking Result

CHEMBL3329627_dpp4

Atoms: 261
Models: 9
Best Energy: -8.625 kcal/mol

Binding Energies:
  • Pose 1: -8.625 kcal/mol
  • Pose 2: -8.483 kcal/mol
  • Pose 3: -8.249 kcal/mol
  • Pose 4: -8.208 kcal/mol
  • Pose 5: -8.164 kcal/mol
  • Pose 6: -8.14 kcal/mol
  • Pose 7: -7.936 kcal/mol
  • Pose 8: -7.924 kcal/mol
  • Pose 9: -7.923 kcal/mol
CHEMBL3329627_dpp4
Energy Plot
RMSD Scatter Plot