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

Docking Result

CHEMBL2011535_dpp4

Atoms: 351
Models: 9
Best Energy: -9.334 kcal/mol

Binding Energies:
  • Pose 1: -9.334 kcal/mol
  • Pose 2: -9.318 kcal/mol
  • Pose 3: -8.653 kcal/mol
  • Pose 4: -8.586 kcal/mol
  • Pose 5: -8.47 kcal/mol
  • Pose 6: -8.448 kcal/mol
  • Pose 7: -8.413 kcal/mol
  • Pose 8: -8.392 kcal/mol
  • Pose 9: -8.353 kcal/mol
CHEMBL2011535_dpp4
Energy Plot
RMSD Scatter Plot