AM
SARS-CoV-2 RBD 'single mutant' AlphaFold2 structures
Published on by Anikó Mentes
In this data release paper ("SARS-CoV-2 RBD deep mutational AlphaFold2 structures carry phenotypic information" by Oz Kilim, Anikó Mentes, Balázs Pál, István Csabai and Ákos Gellért) we provide a curated data-set of all single mutations from each of the 7 main SARS-CoV-2 variants.
This results in 3819X7= 26733 pdb structures. We demonstrate that this data is viable for at least some down-steam machine learning tasks implying it contains information that is physically meaningful and structural variation between mutants is somewhat captured appropriately.
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Funding
2020-1.1.2-PIACI-141 KFI-2021-00298
RRF-2.3.1-21-2022-0000