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

Docking Result

CHEMBL273209_dpp4

Atoms: 234
Models: 9
Best Energy: -7.057 kcal/mol

Binding Energies:
  • Pose 1: -7.057 kcal/mol
  • Pose 2: -6.878 kcal/mol
  • Pose 3: -6.544 kcal/mol
  • Pose 4: -6.418 kcal/mol
  • Pose 5: -6.415 kcal/mol
  • Pose 6: -6.413 kcal/mol
  • Pose 7: -6.355 kcal/mol
  • Pose 8: -6.284 kcal/mol
  • Pose 9: -6.244 kcal/mol
CHEMBL273209_dpp4
Energy Plot
RMSD Scatter Plot