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

Docking Result

CHEMBL256624_dpp4

Atoms: 198
Models: 9
Best Energy: -7.094 kcal/mol

Binding Energies:
  • Pose 1: -7.094 kcal/mol
  • Pose 2: -7.013 kcal/mol
  • Pose 3: -6.422 kcal/mol
  • Pose 4: -6.41 kcal/mol
  • Pose 5: -6.377 kcal/mol
  • Pose 6: -6.312 kcal/mol
  • Pose 7: -5.91 kcal/mol
  • Pose 8: -5.838 kcal/mol
  • Pose 9: -5.783 kcal/mol
CHEMBL256624_dpp4
Energy Plot
RMSD Scatter Plot