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

Docking Result

CHEMBL271694_dpp4

Atoms: 252
Models: 9
Best Energy: -8.37 kcal/mol

Binding Energies:
  • Pose 1: -8.37 kcal/mol
  • Pose 2: -8.16 kcal/mol
  • Pose 3: -7.858 kcal/mol
  • Pose 4: -7.819 kcal/mol
  • Pose 5: -7.648 kcal/mol
  • Pose 6: -7.583 kcal/mol
  • Pose 7: -7.505 kcal/mol
  • Pose 8: -7.455 kcal/mol
  • Pose 9: -7.35 kcal/mol
CHEMBL271694_dpp4
Energy Plot
RMSD Scatter Plot