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

Docking Result

CHEMBL4751873_dpp4

Atoms: 261
Models: 9
Best Energy: -8.256 kcal/mol

Binding Energies:
  • Pose 1: -8.256 kcal/mol
  • Pose 2: -8.227 kcal/mol
  • Pose 3: -8.218 kcal/mol
  • Pose 4: -8.185 kcal/mol
  • Pose 5: -8.176 kcal/mol
  • Pose 6: -8.142 kcal/mol
  • Pose 7: -7.908 kcal/mol
  • Pose 8: -7.856 kcal/mol
  • Pose 9: -7.719 kcal/mol
CHEMBL4751873_dpp4
Energy Plot
RMSD Scatter Plot