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

Docking Result

ligand_50_insr

Atoms: 288
Models: 9
Best Energy: -10.235 kcal/mol

Binding Energies:
  • Pose 1: -10.235 kcal/mol
  • Pose 2: -9.867 kcal/mol
  • Pose 3: -9.681 kcal/mol
  • Pose 4: -9.231 kcal/mol
  • Pose 5: -9.153 kcal/mol
  • Pose 6: -8.723 kcal/mol
  • Pose 7: -8.682 kcal/mol
  • Pose 8: -8.583 kcal/mol
  • Pose 9: -8.563 kcal/mol
ligand_50_insr
Energy Plot
RMSD Scatter Plot