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

Docking Result

ligand_100_insr

Atoms: 261
Models: 9
Best Energy: -7.734 kcal/mol

Binding Energies:
  • Pose 1: -7.734 kcal/mol
  • Pose 2: -7.713 kcal/mol
  • Pose 3: -7.619 kcal/mol
  • Pose 4: -7.5 kcal/mol
  • Pose 5: -7.419 kcal/mol
  • Pose 6: -7.352 kcal/mol
  • Pose 7: -7.325 kcal/mol
  • Pose 8: -7.319 kcal/mol
  • Pose 9: -7.258 kcal/mol
ligand_100_insr
Energy Plot
RMSD Scatter Plot