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

Docking Result

CHEMBL425584_dpp4

Atoms: 279
Models: 9
Best Energy: -8.092 kcal/mol

Binding Energies:
  • Pose 1: -8.092 kcal/mol
  • Pose 2: -7.946 kcal/mol
  • Pose 3: -7.787 kcal/mol
  • Pose 4: -7.779 kcal/mol
  • Pose 5: -7.498 kcal/mol
  • Pose 6: -7.465 kcal/mol
  • Pose 7: -7.34 kcal/mol
  • Pose 8: -7.178 kcal/mol
  • Pose 9: -6.975 kcal/mol
CHEMBL425584_dpp4
Energy Plot
RMSD Scatter Plot