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

Docking Result

CHEMBL400841_dpp4

Atoms: 297
Models: 9
Best Energy: -7.908 kcal/mol

Binding Energies:
  • Pose 1: -7.908 kcal/mol
  • Pose 2: -7.748 kcal/mol
  • Pose 3: -7.659 kcal/mol
  • Pose 4: -7.658 kcal/mol
  • Pose 5: -7.368 kcal/mol
  • Pose 6: -7.334 kcal/mol
  • Pose 7: -7.321 kcal/mol
  • Pose 8: -7.111 kcal/mol
  • Pose 9: -7.009 kcal/mol
CHEMBL400841_dpp4
Energy Plot
RMSD Scatter Plot