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

Docking Result

CHEMBL355244_dpp4

Atoms: 162
Models: 9
Best Energy: -6.203 kcal/mol

Binding Energies:
  • Pose 1: -6.203 kcal/mol
  • Pose 2: -6.149 kcal/mol
  • Pose 3: -6.043 kcal/mol
  • Pose 4: -6.028 kcal/mol
  • Pose 5: -6.009 kcal/mol
  • Pose 6: -5.976 kcal/mol
  • Pose 7: -5.97 kcal/mol
  • Pose 8: -5.964 kcal/mol
  • Pose 9: -5.95 kcal/mol
CHEMBL355244_dpp4
Energy Plot
RMSD Scatter Plot