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

Docking Result

CHEMBL391577_dpp4

Atoms: 234
Models: 9
Best Energy: -6.933 kcal/mol

Binding Energies:
  • Pose 1: -6.933 kcal/mol
  • Pose 2: -6.855 kcal/mol
  • Pose 3: -6.724 kcal/mol
  • Pose 4: -6.689 kcal/mol
  • Pose 5: -6.67 kcal/mol
  • Pose 6: -6.67 kcal/mol
  • Pose 7: -6.637 kcal/mol
  • Pose 8: -6.565 kcal/mol
  • Pose 9: -6.547 kcal/mol
CHEMBL391577_dpp4
Energy Plot
RMSD Scatter Plot