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

Docking Result

ligand_18_insr

Atoms: 216
Models: 9
Best Energy: -8.785 kcal/mol

Binding Energies:
  • Pose 1: -8.785 kcal/mol
  • Pose 2: -8.556 kcal/mol
  • Pose 3: -8.402 kcal/mol
  • Pose 4: -8.18 kcal/mol
  • Pose 5: -8.006 kcal/mol
  • Pose 6: -7.975 kcal/mol
  • Pose 7: -7.888 kcal/mol
  • Pose 8: -7.735 kcal/mol
  • Pose 9: -7.68 kcal/mol
ligand_18_insr
Energy Plot
RMSD Scatter Plot