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

Docking Result

CHEMBL1779688_dpp4

Atoms: 225
Models: 9
Best Energy: -7.94 kcal/mol

Binding Energies:
  • Pose 1: -7.94 kcal/mol
  • Pose 2: -7.208 kcal/mol
  • Pose 3: -7.2 kcal/mol
  • Pose 4: -6.976 kcal/mol
  • Pose 5: -6.96 kcal/mol
  • Pose 6: -6.834 kcal/mol
  • Pose 7: -6.8 kcal/mol
  • Pose 8: -6.797 kcal/mol
  • Pose 9: -6.796 kcal/mol
CHEMBL1779688_dpp4
Energy Plot
RMSD Scatter Plot