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

Docking Result

CHEMBL512145_dpp4

Atoms: 279
Models: 9
Best Energy: -7.707 kcal/mol

Binding Energies:
  • Pose 1: -7.707 kcal/mol
  • Pose 2: -7.608 kcal/mol
  • Pose 3: -7.511 kcal/mol
  • Pose 4: -7.42 kcal/mol
  • Pose 5: -7.398 kcal/mol
  • Pose 6: -7.329 kcal/mol
  • Pose 7: -7.31 kcal/mol
  • Pose 8: -7.153 kcal/mol
  • Pose 9: -7.108 kcal/mol
CHEMBL512145_dpp4
Energy Plot
RMSD Scatter Plot