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

Docking Result

CHEMBL1951599_dpp4

Atoms: 351
Models: 9
Best Energy: -8.869 kcal/mol

Binding Energies:
  • Pose 1: -8.869 kcal/mol
  • Pose 2: -8.805 kcal/mol
  • Pose 3: -8.646 kcal/mol
  • Pose 4: -8.529 kcal/mol
  • Pose 5: -8.421 kcal/mol
  • Pose 6: -8.339 kcal/mol
  • Pose 7: -8.184 kcal/mol
  • Pose 8: -8.167 kcal/mol
  • Pose 9: -7.935 kcal/mol
CHEMBL1951599_dpp4
Energy Plot
RMSD Scatter Plot