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

Docking Result

CHEMBL4853464_dpp4

Atoms: 297
Models: 9
Best Energy: -8.756 kcal/mol

Binding Energies:
  • Pose 1: -8.756 kcal/mol
  • Pose 2: -7.985 kcal/mol
  • Pose 3: -7.985 kcal/mol
  • Pose 4: -7.933 kcal/mol
  • Pose 5: -7.884 kcal/mol
  • Pose 6: -7.859 kcal/mol
  • Pose 7: -7.844 kcal/mol
  • Pose 8: -7.834 kcal/mol
  • Pose 9: -7.831 kcal/mol
CHEMBL4853464_dpp4
Energy Plot
RMSD Scatter Plot