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A novel approach to modeling side chain ensembles of the bifunctional spin label RX

We introduce a novel approach to modeling side chain ensembles of bifunctional spin labels. This approach utilizes rotamer libraries to generate side chain conformational ensembles. Because the bifunctional label is constrained by two attachment sites, the label is split into two monofunctional rota...

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Detalles Bibliográficos
Autores principales: Tessmer, Maxx H., Stoll, Stefan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10245940/
https://www.ncbi.nlm.nih.gov/pubmed/37292623
http://dx.doi.org/10.1101/2023.05.24.542139