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

Docking Result

CHEMBL175708_dpp4

Atoms: 144
Models: 9
Best Energy: -6.01 kcal/mol

Binding Energies:
  • Pose 1: -6.01 kcal/mol
  • Pose 2: -6.008 kcal/mol
  • Pose 3: -5.929 kcal/mol
  • Pose 4: -5.861 kcal/mol
  • Pose 5: -5.814 kcal/mol
  • Pose 6: -5.81 kcal/mol
  • Pose 7: -5.795 kcal/mol
  • Pose 8: -5.476 kcal/mol
  • Pose 9: -5.335 kcal/mol
CHEMBL175708_dpp4
Energy Plot
RMSD Scatter Plot