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

Docking Result

CHEMBL4632896_dpp4

Atoms: 387
Models: 9
Best Energy: -8.668 kcal/mol

Binding Energies:
  • Pose 1: -8.668 kcal/mol
  • Pose 2: -8.498 kcal/mol
  • Pose 3: -8.292 kcal/mol
  • Pose 4: -8.249 kcal/mol
  • Pose 5: -8.209 kcal/mol
  • Pose 6: -8.205 kcal/mol
  • Pose 7: -8.109 kcal/mol
  • Pose 8: -7.876 kcal/mol
  • Pose 9: -7.584 kcal/mol
CHEMBL4632896_dpp4
Energy Plot
RMSD Scatter Plot