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

Docking Result

CHEMBL328197_dpp4

Atoms: 207
Models: 9
Best Energy: -6.602 kcal/mol

Binding Energies:
  • Pose 1: -6.602 kcal/mol
  • Pose 2: -6.487 kcal/mol
  • Pose 3: -6.476 kcal/mol
  • Pose 4: -6.364 kcal/mol
  • Pose 5: -6.277 kcal/mol
  • Pose 6: -6.253 kcal/mol
  • Pose 7: -6.222 kcal/mol
  • Pose 8: -6.202 kcal/mol
  • Pose 9: -5.898 kcal/mol
CHEMBL328197_dpp4
Energy Plot
RMSD Scatter Plot