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

Docking Result

CHEMBL1852708_dpp4

Atoms: 270
Models: 9
Best Energy: -8.551 kcal/mol

Binding Energies:
  • Pose 1: -8.551 kcal/mol
  • Pose 2: -7.672 kcal/mol
  • Pose 3: -7.647 kcal/mol
  • Pose 4: -7.38 kcal/mol
  • Pose 5: -7.115 kcal/mol
  • Pose 6: -7.046 kcal/mol
  • Pose 7: -6.997 kcal/mol
  • Pose 8: -6.954 kcal/mol
  • Pose 9: -6.807 kcal/mol
CHEMBL1852708_dpp4
Energy Plot
RMSD Scatter Plot