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

Docking Result

CHEMBL206743_dpp4

Atoms: 180
Models: 9
Best Energy: -7.023 kcal/mol

Binding Energies:
  • Pose 1: -7.023 kcal/mol
  • Pose 2: -7.006 kcal/mol
  • Pose 3: -6.713 kcal/mol
  • Pose 4: -6.661 kcal/mol
  • Pose 5: -6.354 kcal/mol
  • Pose 6: -6.31 kcal/mol
  • Pose 7: -6.303 kcal/mol
  • Pose 8: -6.293 kcal/mol
  • Pose 9: -6.287 kcal/mol
CHEMBL206743_dpp4
Energy Plot
RMSD Scatter Plot