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

Docking Result

CHEMBL4743350_dpp4

Atoms: 405
Models: 9
Best Energy: -9.259 kcal/mol

Binding Energies:
  • Pose 1: -9.259 kcal/mol
  • Pose 2: -9.192 kcal/mol
  • Pose 3: -8.957 kcal/mol
  • Pose 4: -8.857 kcal/mol
  • Pose 5: -8.753 kcal/mol
  • Pose 6: -8.693 kcal/mol
  • Pose 7: -8.62 kcal/mol
  • Pose 8: -8.556 kcal/mol
  • Pose 9: -8.461 kcal/mol
CHEMBL4743350_dpp4
Energy Plot
RMSD Scatter Plot