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

Docking Result

CHEMBL4864734_dpp4

Atoms: 333
Models: 9
Best Energy: -8.666 kcal/mol

Binding Energies:
  • Pose 1: -8.666 kcal/mol
  • Pose 2: -8.62 kcal/mol
  • Pose 3: -8.058 kcal/mol
  • Pose 4: -8.028 kcal/mol
  • Pose 5: -7.993 kcal/mol
  • Pose 6: -7.808 kcal/mol
  • Pose 7: -7.777 kcal/mol
  • Pose 8: -7.536 kcal/mol
  • Pose 9: -7.366 kcal/mol
CHEMBL4864734_dpp4
Energy Plot
RMSD Scatter Plot