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

Docking Result

CHEMBL3645491_dpp4

Atoms: 270
Models: 9
Best Energy: -8.161 kcal/mol

Binding Energies:
  • Pose 1: -8.161 kcal/mol
  • Pose 2: -7.658 kcal/mol
  • Pose 3: -7.447 kcal/mol
  • Pose 4: -7.43 kcal/mol
  • Pose 5: -7.419 kcal/mol
  • Pose 6: -7.349 kcal/mol
  • Pose 7: -7.32 kcal/mol
  • Pose 8: -7.173 kcal/mol
  • Pose 9: -7.02 kcal/mol
CHEMBL3645491_dpp4
Energy Plot
RMSD Scatter Plot