PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening

This deposition contains the X-ray diffraction datasets used to run PanDDA in the 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). A description of the files can be found in the README file.

Related Organizations

University of California, San Francisco
United States

Keywords

SARS-CoV-2, macrodomain, NSP3, virtual screening, docking, X-ray crystallography

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