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

Docking Result

CHEMBL352737_dpp4

Atoms: 270
Models: 9
Best Energy: -7.926 kcal/mol

Binding Energies:
  • Pose 1: -7.926 kcal/mol
  • Pose 2: -7.889 kcal/mol
  • Pose 3: -7.844 kcal/mol
  • Pose 4: -7.606 kcal/mol
  • Pose 5: -7.556 kcal/mol
  • Pose 6: -7.533 kcal/mol
  • Pose 7: -7.521 kcal/mol
  • Pose 8: -7.493 kcal/mol
  • Pose 9: -7.456 kcal/mol
CHEMBL352737_dpp4
Energy Plot
RMSD Scatter Plot