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

Docking Result

CHEMBL3734964_dpp4

Atoms: 297
Models: 9
Best Energy: -8.856 kcal/mol

Binding Energies:
  • Pose 1: -8.856 kcal/mol
  • Pose 2: -8.787 kcal/mol
  • Pose 3: -8.738 kcal/mol
  • Pose 4: -8.444 kcal/mol
  • Pose 5: -8.297 kcal/mol
  • Pose 6: -8.258 kcal/mol
  • Pose 7: -8.077 kcal/mol
  • Pose 8: -8.071 kcal/mol
  • Pose 9: -7.937 kcal/mol
CHEMBL3734964_dpp4
Energy Plot
RMSD Scatter Plot