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

Docking Result

CHEMBL231552_dpp4

Atoms: 315
Models: 9
Best Energy: -9.014 kcal/mol

Binding Energies:
  • Pose 1: -9.014 kcal/mol
  • Pose 2: -8.9 kcal/mol
  • Pose 3: -8.827 kcal/mol
  • Pose 4: -8.629 kcal/mol
  • Pose 5: -8.587 kcal/mol
  • Pose 6: -8.582 kcal/mol
  • Pose 7: -8.529 kcal/mol
  • Pose 8: -8.384 kcal/mol
  • Pose 9: -8.118 kcal/mol
CHEMBL231552_dpp4
Energy Plot
RMSD Scatter Plot