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

Docking Result

CHEMBL269953_dpp4

Atoms: 252
Models: 9
Best Energy: -7.94 kcal/mol

Binding Energies:
  • Pose 1: -7.94 kcal/mol
  • Pose 2: -7.93 kcal/mol
  • Pose 3: -7.919 kcal/mol
  • Pose 4: -7.869 kcal/mol
  • Pose 5: -7.661 kcal/mol
  • Pose 6: -7.639 kcal/mol
  • Pose 7: -7.611 kcal/mol
  • Pose 8: -7.48 kcal/mol
  • Pose 9: -7.473 kcal/mol
CHEMBL269953_dpp4
Energy Plot
RMSD Scatter Plot