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

Docking Result

CHEMBL4638480_dpp4

Atoms: 324
Models: 9
Best Energy: -9.274 kcal/mol

Binding Energies:
  • Pose 1: -9.274 kcal/mol
  • Pose 2: -8.817 kcal/mol
  • Pose 3: -8.629 kcal/mol
  • Pose 4: -8.536 kcal/mol
  • Pose 5: -8.407 kcal/mol
  • Pose 6: -7.737 kcal/mol
  • Pose 7: -7.606 kcal/mol
  • Pose 8: -7.562 kcal/mol
  • Pose 9: -7.513 kcal/mol
CHEMBL4638480_dpp4
Energy Plot
RMSD Scatter Plot