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

Docking Result

CHEMBL486049_dpp4

Atoms: 234
Models: 9
Best Energy: -9.117 kcal/mol

Binding Energies:
  • Pose 1: -9.117 kcal/mol
  • Pose 2: -8.27 kcal/mol
  • Pose 3: -8.241 kcal/mol
  • Pose 4: -8.194 kcal/mol
  • Pose 5: -8.188 kcal/mol
  • Pose 6: -8.13 kcal/mol
  • Pose 7: -7.748 kcal/mol
  • Pose 8: -7.679 kcal/mol
  • Pose 9: -7.542 kcal/mol
CHEMBL486049_dpp4
Energy Plot
RMSD Scatter Plot