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

Docking Result

CHEMBL1949693_dpp4

Atoms: 378
Models: 9
Best Energy: -7.191 kcal/mol

Binding Energies:
  • Pose 1: -7.191 kcal/mol
  • Pose 2: -7.122 kcal/mol
  • Pose 3: -7.083 kcal/mol
  • Pose 4: -7.065 kcal/mol
  • Pose 5: -6.879 kcal/mol
  • Pose 6: -6.845 kcal/mol
  • Pose 7: -6.813 kcal/mol
  • Pose 8: -6.805 kcal/mol
  • Pose 9: -6.527 kcal/mol
CHEMBL1949693_dpp4
Energy Plot
RMSD Scatter Plot