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

Docking Result

CHEMBL237151_dpp4

Atoms: 243
Models: 9
Best Energy: -8.195 kcal/mol

Binding Energies:
  • Pose 1: -8.195 kcal/mol
  • Pose 2: -8.014 kcal/mol
  • Pose 3: -7.999 kcal/mol
  • Pose 4: -7.712 kcal/mol
  • Pose 5: -7.66 kcal/mol
  • Pose 6: -7.578 kcal/mol
  • Pose 7: -7.561 kcal/mol
  • Pose 8: -7.306 kcal/mol
  • Pose 9: -7.304 kcal/mol
CHEMBL237151_dpp4
Energy Plot
RMSD Scatter Plot