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

Docking Result

CHEMBL4547171_dpp4

Atoms: 270
Models: 9
Best Energy: -9.426 kcal/mol

Binding Energies:
  • Pose 1: -9.426 kcal/mol
  • Pose 2: -9.29 kcal/mol
  • Pose 3: -9.179 kcal/mol
  • Pose 4: -9.117 kcal/mol
  • Pose 5: -9.087 kcal/mol
  • Pose 6: -8.816 kcal/mol
  • Pose 7: -8.768 kcal/mol
  • Pose 8: -8.767 kcal/mol
  • Pose 9: -8.717 kcal/mol
CHEMBL4547171_dpp4
Energy Plot
RMSD Scatter Plot