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

Docking Result

CHEMBL1812732_dpp4

Atoms: 234
Models: 9
Best Energy: -7.873 kcal/mol

Binding Energies:
  • Pose 1: -7.873 kcal/mol
  • Pose 2: -7.428 kcal/mol
  • Pose 3: -6.799 kcal/mol
  • Pose 4: -6.764 kcal/mol
  • Pose 5: -6.705 kcal/mol
  • Pose 6: -6.689 kcal/mol
  • Pose 7: -6.54 kcal/mol
  • Pose 8: -6.454 kcal/mol
  • Pose 9: -6.372 kcal/mol
CHEMBL1812732_dpp4
Energy Plot
RMSD Scatter Plot