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

Docking Result

ligand_3_insr

Atoms: 378
Models: 9
Best Energy: -10.29 kcal/mol

Binding Energies:
  • Pose 1: -10.29 kcal/mol
  • Pose 2: -10.196 kcal/mol
  • Pose 3: -9.842 kcal/mol
  • Pose 4: -9.815 kcal/mol
  • Pose 5: -9.766 kcal/mol
  • Pose 6: -9.7 kcal/mol
  • Pose 7: -9.606 kcal/mol
  • Pose 8: -9.588 kcal/mol
  • Pose 9: -9.457 kcal/mol
ligand_3_insr
Energy Plot
RMSD Scatter Plot