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

Docking Result

ligand_80_insr

Atoms: 324
Models: 9
Best Energy: -9.272 kcal/mol

Binding Energies:
  • Pose 1: -9.272 kcal/mol
  • Pose 2: -9.245 kcal/mol
  • Pose 3: -8.91 kcal/mol
  • Pose 4: -8.729 kcal/mol
  • Pose 5: -8.635 kcal/mol
  • Pose 6: -8.532 kcal/mol
  • Pose 7: -8.496 kcal/mol
  • Pose 8: -8.453 kcal/mol
  • Pose 9: -8.328 kcal/mol
ligand_80_insr
Energy Plot
RMSD Scatter Plot