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

Docking Result

ligand_2_insr

Atoms: 270
Models: 9
Best Energy: -8.466 kcal/mol

Binding Energies:
  • Pose 1: -8.466 kcal/mol
  • Pose 2: -8.429 kcal/mol
  • Pose 3: -8.138 kcal/mol
  • Pose 4: -8.056 kcal/mol
  • Pose 5: -7.794 kcal/mol
  • Pose 6: -7.763 kcal/mol
  • Pose 7: -7.672 kcal/mol
  • Pose 8: -7.667 kcal/mol
  • Pose 9: -7.472 kcal/mol
ligand_2_insr
Energy Plot
RMSD Scatter Plot