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In addition, three rotational bonds were assigned to the ligand before docking onto the structure of PAD2.
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Concentration of RNAs by recruitment to foci allows docking onto the -boxes in the Ire1 cytosolic linker.
The ligands were docked onto the six structural representatives of human α-syn in aqueous solution.
FADDI-096 was docked onto the LPS molecule.
(C ) DNA-cleaved Hin tetramer model docked onto the enhancer.
Figure 9A presents the findings for pose 1 docked onto the A1 monomer, and Figure 9C presents data for pose-1 docked onto the dimer (A1-B1).
(B ) The pre-cleaved Hin tetramer model docked onto the enhancer.
The conformational ensemble of a compound representative shown docked onto the Aβ16 21 fiber structure.
The modeled probe structure was manually docked onto the LPS molecule and the complex was energy minimized in vacuum.
In the next step, the modeled C-terminal domain (residues 410−545) was docked onto the available structure of 45CBS.
The same optimization step was applied before docking.
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