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

Docking Result

CHEMBL2086597_dpp4

Atoms: 243
Models: 9
Best Energy: -7.131 kcal/mol

Binding Energies:
  • Pose 1: -7.131 kcal/mol
  • Pose 2: -7.013 kcal/mol
  • Pose 3: -6.945 kcal/mol
  • Pose 4: -6.94 kcal/mol
  • Pose 5: -6.914 kcal/mol
  • Pose 6: -6.912 kcal/mol
  • Pose 7: -6.895 kcal/mol
  • Pose 8: -6.885 kcal/mol
  • Pose 9: -6.817 kcal/mol
CHEMBL2086597_dpp4
Energy Plot
RMSD Scatter Plot