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In my Algorithms in Drug Design class in school, one of the research projects was using docking software to do an alpha/beta search for mutations that would alt
by sterlind 6y ago
In my Algorithms in Drug Design class in school, one of the research projects was using docking software to do an alpha/beta search for mutations that would alter protein structure while preserving binding affinity, with the idea of heading off vaccine escape (in this case HIV) by predicting the mutations likely to escape antibody binding.
Is anything like that being done with covid?
Edit: the Alpha move was to mutate the antibody and the Beta move was to mutate the viral protein iirc.
- yellowcake0 6y agoYes such things are being done, see this paper for example: https://www.biorxiv.org/content/10.1101/2020.12.31.425021v1.full https://www.biorxiv.org/content/10.1101/2020.12.31.425021v1....
- p4coder 6y agoNot exactly, but there is this [1] that shows how the binding strength varies with single amino acid change. [1] https://jbloomlab.github.io/SARS-CoV-2-RBD_DMS/ https://jbloomlab.github.io/SARS-CoV-2-RBD_DMS/
- nahuel0x 6y agoCheck this: https://singularityhub.com/2021/01/19/a-language-ai-is-accurately-predicting-covid-19-escape-mutations/ https://singularityhub.com/2021/01/19/a-language-ai-is-accur...