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

Docking Result

CHEMBL520067_dpp4

Atoms: 279
Models: 9
Best Energy: -8.594 kcal/mol

Binding Energies:
  • Pose 1: -8.594 kcal/mol
  • Pose 2: -8.504 kcal/mol
  • Pose 3: -8.383 kcal/mol
  • Pose 4: -8.373 kcal/mol
  • Pose 5: -8.349 kcal/mol
  • Pose 6: -8.273 kcal/mol
  • Pose 7: -8.201 kcal/mol
  • Pose 8: -8.064 kcal/mol
  • Pose 9: -7.926 kcal/mol
CHEMBL520067_dpp4
Energy Plot
RMSD Scatter Plot