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

Docking Result

CHEMBL261460_dpp4

Atoms: 189
Models: 9
Best Energy: -6.864 kcal/mol

Binding Energies:
  • Pose 1: -6.864 kcal/mol
  • Pose 2: -6.095 kcal/mol
  • Pose 3: -5.747 kcal/mol
  • Pose 4: -5.622 kcal/mol
  • Pose 5: -5.613 kcal/mol
  • Pose 6: -5.582 kcal/mol
  • Pose 7: -5.569 kcal/mol
  • Pose 8: -5.544 kcal/mol
  • Pose 9: -5.423 kcal/mol
CHEMBL261460_dpp4
Energy Plot
RMSD Scatter Plot