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

Docking Result

CHEMBL389599_dpp4

Atoms: 297
Models: 9
Best Energy: -8.632 kcal/mol

Binding Energies:
  • Pose 1: -8.632 kcal/mol
  • Pose 2: -8.566 kcal/mol
  • Pose 3: -8.515 kcal/mol
  • Pose 4: -8.484 kcal/mol
  • Pose 5: -8.439 kcal/mol
  • Pose 6: -8.371 kcal/mol
  • Pose 7: -8.304 kcal/mol
  • Pose 8: -8.252 kcal/mol
  • Pose 9: -8.221 kcal/mol
CHEMBL389599_dpp4
Energy Plot
RMSD Scatter Plot