Docking of 1,4-benzodiazepines in the α1/γ2 GABAAR modulator site

Data Supplement

Files in this Data Supplement:

• Data Supplement -
  Supplemental Figure 1. Alignment of the ligand-binding domain of the GABAAR alpha1, beta2 and gamma2 subunits and AChBP...
  Supplemental Figure 2. Superposition of orientations of DZ obtained by manual and automated docking (A-G)...
  Supplemental Figure 3. Superposition of FNZ orientations obtained via manual and automated docking (A-J)...
  Supplemental Table 1. DZ and Flu docking energies (kcal/mol).
  Supplemental Table 2. Interatomic distances between closest pair of atoms belonging to the binding site residue and that of Flu were measured by �Monitor Distance� tool of Discovery Studio using the pdb file with 2h orientations.
• Data Supplement - All ligands in 1h orientations + a1H101R and g2F77Y mutants.
• Data Supplement - All ligands in 1v orientations + a1H101R and g2F77Y mutants
• Data Supplement - All ligands in 2h orientations + a1H101R and g2F77Y mutants
• Data Supplement - All ligands in 2v orientations + a1H101R and g2F77Y mutants