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

Docking Result

CHEMBL1651765_dpp4

Atoms: 288
Models: 9
Best Energy: -7.899 kcal/mol

Binding Energies:
  • Pose 1: -7.899 kcal/mol
  • Pose 2: -7.886 kcal/mol
  • Pose 3: -7.86 kcal/mol
  • Pose 4: -7.835 kcal/mol
  • Pose 5: -7.686 kcal/mol
  • Pose 6: -7.483 kcal/mol
  • Pose 7: -7.401 kcal/mol
  • Pose 8: -7.365 kcal/mol
  • Pose 9: -7.319 kcal/mol
CHEMBL1651765_dpp4
Energy Plot
RMSD Scatter Plot