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

Docking Result

CHEMBL5824381_dpp4

Atoms: 360
Models: 9
Best Energy: -8.659 kcal/mol

Binding Energies:
  • Pose 1: -8.659 kcal/mol
  • Pose 2: -8.554 kcal/mol
  • Pose 3: -8.533 kcal/mol
  • Pose 4: -8.376 kcal/mol
  • Pose 5: -8.329 kcal/mol
  • Pose 6: -8.294 kcal/mol
  • Pose 7: -8.25 kcal/mol
  • Pose 8: -8.238 kcal/mol
  • Pose 9: -8.235 kcal/mol
CHEMBL5824381_dpp4
Energy Plot
RMSD Scatter Plot