The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and X-ray diffraction at room temperature
- 1. UCSF
James Fraser's presentation at the monthly [virtual] Antiviral Drug Discovery (AViDD) Open Science Forum on 19 October 2022. His talk focuses on finding new ligands to the SARS CoV 2 Macrodomain using Fragments, Neutrons, and Entropy.
- Public datasets
- Preprints and papers
- Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2 [DOI]
- Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking [DOI]
- The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature [DOI]
- Of problems and opportunities—How to treat and how to not treat crystallographic fragment screening data [DOI]
You can find a recording of his talk on the AViDD Open Science Forum Youtube page
James Fraser is a member of the QBI Coronavirus Research Group (QCRG) AViDD Center.
2022-10-19 Open Science Forum talk - James Fraser - SARS-CoV-2 macrodomain.pdf