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

Docking Result

CHEMBL186877_dpp4

Atoms: 279
Models: 9
Best Energy: -7.349 kcal/mol

Binding Energies:
  • Pose 1: -7.349 kcal/mol
  • Pose 2: -7.309 kcal/mol
  • Pose 3: -7.059 kcal/mol
  • Pose 4: -6.923 kcal/mol
  • Pose 5: -6.902 kcal/mol
  • Pose 6: -6.822 kcal/mol
  • Pose 7: -6.739 kcal/mol
  • Pose 8: -6.638 kcal/mol
  • Pose 9: -6.613 kcal/mol
CHEMBL186877_dpp4
Energy Plot
RMSD Scatter Plot