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

Docking Result

CHEMBL4238698_dpp4

Atoms: 324
Models: 9
Best Energy: -9.555 kcal/mol

Binding Energies:
  • Pose 1: -9.555 kcal/mol
  • Pose 2: -9.117 kcal/mol
  • Pose 3: -8.915 kcal/mol
  • Pose 4: -8.622 kcal/mol
  • Pose 5: -8.562 kcal/mol
  • Pose 6: -8.375 kcal/mol
  • Pose 7: -8.341 kcal/mol
  • Pose 8: -8.043 kcal/mol
  • Pose 9: -7.908 kcal/mol
CHEMBL4238698_dpp4
Energy Plot
RMSD Scatter Plot