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

Docking Result

CHEMBL5408398_dpp4

Atoms: 351
Models: 9
Best Energy: -10.032 kcal/mol

Binding Energies:
  • Pose 1: -10.032 kcal/mol
  • Pose 2: -9.346 kcal/mol
  • Pose 3: -9.172 kcal/mol
  • Pose 4: -9.01 kcal/mol
  • Pose 5: -8.945 kcal/mol
  • Pose 6: -8.88 kcal/mol
  • Pose 7: -8.847 kcal/mol
  • Pose 8: -8.779 kcal/mol
  • Pose 9: -8.764 kcal/mol
CHEMBL5408398_dpp4
Energy Plot
RMSD Scatter Plot