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

Docking Result

CHEMBL3805696_dpp4

Atoms: 279
Models: 9
Best Energy: -9.644 kcal/mol

Binding Energies:
  • Pose 1: -9.644 kcal/mol
  • Pose 2: -9.079 kcal/mol
  • Pose 3: -8.843 kcal/mol
  • Pose 4: -8.816 kcal/mol
  • Pose 5: -8.734 kcal/mol
  • Pose 6: -8.56 kcal/mol
  • Pose 7: -8.56 kcal/mol
  • Pose 8: -8.434 kcal/mol
  • Pose 9: -8.403 kcal/mol
CHEMBL3805696_dpp4
Energy Plot
RMSD Scatter Plot