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Protein-sol pKa: prediction of electrostatic frustration, with application to coronaviruses

MOTIVATION: Evolution couples differences in ambient pH to biological function through protonatable groups, in particular, those that switch from buried to exposed and alter protonation state in doing so. We present a tool focusing on structure-based discovery and display of these groups. RESULTS: S...

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Detalles Bibliográficos
Autores principales: Hebditch, Max, Warwicker, Jim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7454282/
https://www.ncbi.nlm.nih.gov/pubmed/32683439
http://dx.doi.org/10.1093/bioinformatics/btaa646