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

Docking Result

CHEMBL566419_dpp4

Atoms: 270
Models: 9
Best Energy: -8.06 kcal/mol

Binding Energies:
  • Pose 1: -8.06 kcal/mol
  • Pose 2: -7.792 kcal/mol
  • Pose 3: -7.752 kcal/mol
  • Pose 4: -7.729 kcal/mol
  • Pose 5: -7.432 kcal/mol
  • Pose 6: -7.379 kcal/mol
  • Pose 7: -7.376 kcal/mol
  • Pose 8: -7.284 kcal/mol
  • Pose 9: -7.264 kcal/mol
CHEMBL566419_dpp4
Energy Plot
RMSD Scatter Plot