Dataset Open Access
PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening
Correy, Galen J.;
Fraser, James S.
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.
A description of the files can be found in the README file.
Files
(11.6 GB)
| Name | Size | |
|---|---|---|
|
mac1_pandda.zip
md5:5f9822549569674bba019b101ac7e5c5 |
11.6 GB | Download |
|
README
md5:5924e7da3982ffb0702b1a772d8c4343 |
1.7 kB | Download |
130
28
views
downloads
| All versions | This version | |
|---|---|---|
| Views | 130 | 54 |
| Downloads | 28 | 8 |
| Data volume | 161.7 GB | 34.7 GB |
| Unique views | 108 | 49 |
| Unique downloads | 25 | 7 |
Indexed in
- Publication date:
- June 27, 2022
- DOI:
-
- Keyword(s):
- SARS-CoV-2, macrodomain, NSP3, virtual screening, docking, X-ray crystallography
- License (for files):
- Creative Commons Attribution 4.0 International