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

Docking Result

CHEMBL3704836_dpp4

Atoms: 234
Models: 9
Best Energy: -7.051 kcal/mol

Binding Energies:
  • Pose 1: -7.051 kcal/mol
  • Pose 2: -6.968 kcal/mol
  • Pose 3: -6.918 kcal/mol
  • Pose 4: -6.884 kcal/mol
  • Pose 5: -6.859 kcal/mol
  • Pose 6: -6.734 kcal/mol
  • Pose 7: -6.613 kcal/mol
  • Pose 8: -6.554 kcal/mol
  • Pose 9: -6.504 kcal/mol
CHEMBL3704836_dpp4
Energy Plot
RMSD Scatter Plot