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

Docking Result

CHEMBL244843_dpp4

Atoms: 189
Models: 9
Best Energy: -7.954 kcal/mol

Binding Energies:
  • Pose 1: -7.954 kcal/mol
  • Pose 2: -7.847 kcal/mol
  • Pose 3: -7.691 kcal/mol
  • Pose 4: -7.492 kcal/mol
  • Pose 5: -7.424 kcal/mol
  • Pose 6: -7.284 kcal/mol
  • Pose 7: -6.913 kcal/mol
  • Pose 8: -6.885 kcal/mol
  • Pose 9: -6.747 kcal/mol
CHEMBL244843_dpp4
Energy Plot
RMSD Scatter Plot