June 27, 2022 Dataset Open Access

Correy, Galen J.; Fraser, James S.

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    "description": "<p>This deposition contains the X-ray diffraction data&nbsp;used to run PanDDA&nbsp;in the&nbsp;ligand screen against the NSP3 macrodomain of SARS-CoV-2 described in Gahbauer et al. 2022 (doi: https://doi.org/10.1101/2022.06.27.497816).</p>\n\n<p>mac1_pandda.zip contains the structure factor intensities,&nbsp;PanDDA input/ouput and&nbsp;refined models/maps.&nbsp;A description of the files can be found in the README&nbsp;file.&nbsp;</p>\n\n<p>mac1_ligand-bound_states.zip contains the ligand-bound states extracted from the multi-state PDB files.&nbsp;</p>", 
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    "title": "PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening", 
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        "affiliation": "University of California, San Francisco", 
        "name": "Correy, Galen J."
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