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

Docking Result

CHEMBL479803_dpp4

Atoms: 252
Models: 9
Best Energy: -7.32 kcal/mol

Binding Energies:
  • Pose 1: -7.32 kcal/mol
  • Pose 2: -7.18 kcal/mol
  • Pose 3: -7.147 kcal/mol
  • Pose 4: -6.958 kcal/mol
  • Pose 5: -6.928 kcal/mol
  • Pose 6: -6.842 kcal/mol
  • Pose 7: -6.819 kcal/mol
  • Pose 8: -6.722 kcal/mol
  • Pose 9: -5.268 kcal/mol
CHEMBL479803_dpp4
Energy Plot
RMSD Scatter Plot