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

Docking Result

CHEMBL22310_dpp4

Atoms: 279
Models: 9
Best Energy: -8.112 kcal/mol

Binding Energies:
  • Pose 1: -8.112 kcal/mol
  • Pose 2: -8.052 kcal/mol
  • Pose 3: -7.848 kcal/mol
  • Pose 4: -7.819 kcal/mol
  • Pose 5: -7.586 kcal/mol
  • Pose 6: -7.561 kcal/mol
  • Pose 7: -7.472 kcal/mol
  • Pose 8: -7.454 kcal/mol
  • Pose 9: -7.361 kcal/mol
CHEMBL22310_dpp4
Energy Plot
RMSD Scatter Plot