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Rapid prediction of protein natural frequencies using graph neural networks

Natural vibrational frequencies of proteins help to correlate functional shifts with sequence or geometric variations that lead to negligible changes in protein structures, such as point mutations related to disease lethality or medication effectiveness. Normal mode analysis is a well-known approach...

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Detalles Bibliográficos
Autores principales:	Guo, Kai, Buehler, Markus J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189858/ https://www.ncbi.nlm.nih.gov/pubmed/35769204 http://dx.doi.org/10.1039/d1dd00007a

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