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

Docking Result

CHEMBL397353_dpp4

Atoms: 243
Models: 9
Best Energy: -7.961 kcal/mol

Binding Energies:
  • Pose 1: -7.961 kcal/mol
  • Pose 2: -7.884 kcal/mol
  • Pose 3: -7.498 kcal/mol
  • Pose 4: -7.427 kcal/mol
  • Pose 5: -7.425 kcal/mol
  • Pose 6: -7.386 kcal/mol
  • Pose 7: -7.344 kcal/mol
  • Pose 8: -7.256 kcal/mol
  • Pose 9: -6.998 kcal/mol
CHEMBL397353_dpp4
Energy Plot
RMSD Scatter Plot