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

Docking Result

ligand_1_insr

Atoms: 234
Models: 9
Best Energy: -8.28 kcal/mol

Binding Energies:
  • Pose 1: -8.28 kcal/mol
  • Pose 2: -8.248 kcal/mol
  • Pose 3: -8.023 kcal/mol
  • Pose 4: -8.018 kcal/mol
  • Pose 5: -8.003 kcal/mol
  • Pose 6: -7.931 kcal/mol
  • Pose 7: -7.879 kcal/mol
  • Pose 8: -7.826 kcal/mol
  • Pose 9: -7.767 kcal/mol
ligand_1_insr
Energy Plot
RMSD Scatter Plot