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

Docking Result

CHEMBL4165359_dpp4

Atoms: 378
Models: 9
Best Energy: -8.879 kcal/mol

Binding Energies:
  • Pose 1: -8.879 kcal/mol
  • Pose 2: -8.878 kcal/mol
  • Pose 3: -8.878 kcal/mol
  • Pose 4: -8.839 kcal/mol
  • Pose 5: -8.778 kcal/mol
  • Pose 6: -8.339 kcal/mol
  • Pose 7: -8.284 kcal/mol
  • Pose 8: -8.203 kcal/mol
  • Pose 9: -8.117 kcal/mol
CHEMBL4165359_dpp4
Energy Plot
RMSD Scatter Plot