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

Docking Result

CHEMBL231654_dpp4

Atoms: 288
Models: 9
Best Energy: -8.411 kcal/mol

Binding Energies:
  • Pose 1: -8.411 kcal/mol
  • Pose 2: -8.099 kcal/mol
  • Pose 3: -8.019 kcal/mol
  • Pose 4: -7.792 kcal/mol
  • Pose 5: -7.748 kcal/mol
  • Pose 6: -7.745 kcal/mol
  • Pose 7: -7.654 kcal/mol
  • Pose 8: -7.493 kcal/mol
  • Pose 9: -7.366 kcal/mol
CHEMBL231654_dpp4
Energy Plot
RMSD Scatter Plot