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

Docking Result

ligand_512_insr

Atoms: 576
Models: 9
Best Energy: -10.12 kcal/mol

Binding Energies:
  • Pose 1: -10.12 kcal/mol
  • Pose 2: -9.992 kcal/mol
  • Pose 3: -9.506 kcal/mol
  • Pose 4: -9.292 kcal/mol
  • Pose 5: -9.273 kcal/mol
  • Pose 6: -9.254 kcal/mol
  • Pose 7: -9.165 kcal/mol
  • Pose 8: -9.003 kcal/mol
  • Pose 9: -8.977 kcal/mol
ligand_512_insr
Energy Plot
RMSD Scatter Plot