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

Docking Result

CHEMBL1683095_dpp4

Atoms: 234
Models: 9
Best Energy: -7.614 kcal/mol

Binding Energies:
  • Pose 1: -7.614 kcal/mol
  • Pose 2: -7.58 kcal/mol
  • Pose 3: -7.246 kcal/mol
  • Pose 4: -7.115 kcal/mol
  • Pose 5: -6.977 kcal/mol
  • Pose 6: -6.833 kcal/mol
  • Pose 7: -6.829 kcal/mol
  • Pose 8: -6.542 kcal/mol
  • Pose 9: -6.539 kcal/mol
CHEMBL1683095_dpp4
Energy Plot
RMSD Scatter Plot