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

Docking Result

CHEMBL37645_dpp4

Atoms: 252
Models: 9
Best Energy: -8.831 kcal/mol

Binding Energies:
  • Pose 1: -8.831 kcal/mol
  • Pose 2: -8.741 kcal/mol
  • Pose 3: -8.476 kcal/mol
  • Pose 4: -8.269 kcal/mol
  • Pose 5: -8.266 kcal/mol
  • Pose 6: -8.227 kcal/mol
  • Pose 7: -8.04 kcal/mol
  • Pose 8: -7.91 kcal/mol
  • Pose 9: -7.752 kcal/mol
CHEMBL37645_dpp4
Energy Plot
RMSD Scatter Plot