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

Docking Result

ligand_114_insr

Atoms: 171
Models: 9
Best Energy: -7.456 kcal/mol

Binding Energies:
  • Pose 1: -7.456 kcal/mol
  • Pose 2: -7.12 kcal/mol
  • Pose 3: -7.085 kcal/mol
  • Pose 4: -7.01 kcal/mol
  • Pose 5: -6.974 kcal/mol
  • Pose 6: -6.963 kcal/mol
  • Pose 7: -6.933 kcal/mol
  • Pose 8: -6.827 kcal/mol
  • Pose 9: -6.69 kcal/mol
ligand_114_insr
Energy Plot
RMSD Scatter Plot