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

Docking Result

ligand_500_insr

Atoms: 504
Models: 9
Best Energy: -12.457 kcal/mol

Binding Energies:
  • Pose 1: -12.457 kcal/mol
  • Pose 2: -12.093 kcal/mol
  • Pose 3: -11.958 kcal/mol
  • Pose 4: -11.948 kcal/mol
  • Pose 5: -11.924 kcal/mol
  • Pose 6: -11.84 kcal/mol
  • Pose 7: -11.523 kcal/mol
  • Pose 8: -11.49 kcal/mol
  • Pose 9: -11.275 kcal/mol
ligand_500_insr
Energy Plot
RMSD Scatter Plot