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

Docking Result

CHEMBL4246951_dpp4

Atoms: 180
Models: 9
Best Energy: -7.856 kcal/mol

Binding Energies:
  • Pose 1: -7.856 kcal/mol
  • Pose 2: -7.55 kcal/mol
  • Pose 3: -7.369 kcal/mol
  • Pose 4: -7.285 kcal/mol
  • Pose 5: -6.982 kcal/mol
  • Pose 6: -6.867 kcal/mol
  • Pose 7: -6.732 kcal/mol
  • Pose 8: -6.662 kcal/mol
  • Pose 9: -6.632 kcal/mol
CHEMBL4246951_dpp4
Energy Plot
RMSD Scatter Plot