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

Docking Result

ligand_30_insr

Atoms: 288
Models: 9
Best Energy: -9.437 kcal/mol

Binding Energies:
  • Pose 1: -9.437 kcal/mol
  • Pose 2: -8.936 kcal/mol
  • Pose 3: -8.864 kcal/mol
  • Pose 4: -8.736 kcal/mol
  • Pose 5: -8.577 kcal/mol
  • Pose 6: -8.299 kcal/mol
  • Pose 7: -8.236 kcal/mol
  • Pose 8: -8.234 kcal/mol
  • Pose 9: -8.224 kcal/mol
ligand_30_insr
Energy Plot
RMSD Scatter Plot