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

Docking Result

CHEMBL2069857_dpp4

Atoms: 288
Models: 9
Best Energy: -8.364 kcal/mol

Binding Energies:
  • Pose 1: -8.364 kcal/mol
  • Pose 2: -8.3 kcal/mol
  • Pose 3: -8.196 kcal/mol
  • Pose 4: -8.092 kcal/mol
  • Pose 5: -8.06 kcal/mol
  • Pose 6: -8.048 kcal/mol
  • Pose 7: -8.033 kcal/mol
  • Pose 8: -7.867 kcal/mol
  • Pose 9: -7.86 kcal/mol
CHEMBL2069857_dpp4
Energy Plot
RMSD Scatter Plot