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

Docking Result

CHEMBL410187_dpp4

Atoms: 252
Models: 9
Best Energy: -8.107 kcal/mol

Binding Energies:
  • Pose 1: -8.107 kcal/mol
  • Pose 2: -7.934 kcal/mol
  • Pose 3: -7.301 kcal/mol
  • Pose 4: -7.199 kcal/mol
  • Pose 5: -7.131 kcal/mol
  • Pose 6: -6.879 kcal/mol
  • Pose 7: -6.816 kcal/mol
  • Pose 8: -6.764 kcal/mol
  • Pose 9: -6.707 kcal/mol
CHEMBL410187_dpp4
Energy Plot
RMSD Scatter Plot