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

Docking Result

CHEMBL1650439_dpp4

Atoms: 234
Models: 9
Best Energy: -7.522 kcal/mol

Binding Energies:
  • Pose 1: -7.522 kcal/mol
  • Pose 2: -7.294 kcal/mol
  • Pose 3: -7.064 kcal/mol
  • Pose 4: -7.032 kcal/mol
  • Pose 5: -6.987 kcal/mol
  • Pose 6: -6.883 kcal/mol
  • Pose 7: -6.796 kcal/mol
  • Pose 8: -6.756 kcal/mol
  • Pose 9: -6.648 kcal/mol
CHEMBL1650439_dpp4
Energy Plot
RMSD Scatter Plot