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

Docking Result

CHEMBL2178974_dpp4

Atoms: 378
Models: 9
Best Energy: -9.026 kcal/mol

Binding Energies:
  • Pose 1: -9.026 kcal/mol
  • Pose 2: -8.616 kcal/mol
  • Pose 3: -8.415 kcal/mol
  • Pose 4: -8.337 kcal/mol
  • Pose 5: -8.293 kcal/mol
  • Pose 6: -8.23 kcal/mol
  • Pose 7: -8.06 kcal/mol
  • Pose 8: -8.009 kcal/mol
  • Pose 9: -7.883 kcal/mol
CHEMBL2178974_dpp4
Energy Plot
RMSD Scatter Plot