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

Docking Result

CHEMBL5274564_dpp4

Atoms: 198
Models: 9
Best Energy: -7.097 kcal/mol

Binding Energies:
  • Pose 1: -7.097 kcal/mol
  • Pose 2: -6.981 kcal/mol
  • Pose 3: -6.961 kcal/mol
  • Pose 4: -6.933 kcal/mol
  • Pose 5: -6.897 kcal/mol
  • Pose 6: -6.784 kcal/mol
  • Pose 7: -6.57 kcal/mol
  • Pose 8: -6.527 kcal/mol
  • Pose 9: -6.428 kcal/mol
CHEMBL5274564_dpp4
Energy Plot
RMSD Scatter Plot