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

Docking Result

CHEMBL230938_dpp4

Atoms: 279
Models: 9
Best Energy: -9.492 kcal/mol

Binding Energies:
  • Pose 1: -9.492 kcal/mol
  • Pose 2: -9.3 kcal/mol
  • Pose 3: -8.867 kcal/mol
  • Pose 4: -8.829 kcal/mol
  • Pose 5: -8.826 kcal/mol
  • Pose 6: -8.791 kcal/mol
  • Pose 7: -8.696 kcal/mol
  • Pose 8: -8.607 kcal/mol
  • Pose 9: -8.512 kcal/mol
CHEMBL230938_dpp4
Energy Plot
RMSD Scatter Plot