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

Docking Result

CHEMBL250999_dpp4

Atoms: 369
Models: 9
Best Energy: -9.549 kcal/mol

Binding Energies:
  • Pose 1: -9.549 kcal/mol
  • Pose 2: -9.501 kcal/mol
  • Pose 3: -9.32 kcal/mol
  • Pose 4: -9.184 kcal/mol
  • Pose 5: -9.144 kcal/mol
  • Pose 6: -9.043 kcal/mol
  • Pose 7: -8.973 kcal/mol
  • Pose 8: -8.948 kcal/mol
  • Pose 9: -8.941 kcal/mol
CHEMBL250999_dpp4
Energy Plot
RMSD Scatter Plot