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

Docking Result

CHEMBL4761499_dpp4

Atoms: 297
Models: 9
Best Energy: -8.435 kcal/mol

Binding Energies:
  • Pose 1: -8.435 kcal/mol
  • Pose 2: -8.376 kcal/mol
  • Pose 3: -8.323 kcal/mol
  • Pose 4: -8.264 kcal/mol
  • Pose 5: -8.168 kcal/mol
  • Pose 6: -8.084 kcal/mol
  • Pose 7: -8.076 kcal/mol
  • Pose 8: -8.063 kcal/mol
  • Pose 9: -8.058 kcal/mol
CHEMBL4761499_dpp4
Energy Plot
RMSD Scatter Plot