Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index

NMR chemical shift information is highly valuable in the investigation of small molecule and protein structure. Here, the authors developed a neural network approach to unify protein chemical shifts and their changes in response to changes in protein sequence, structure, and dimerization interaction...

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Detalles Bibliográficos
Autores principales: Gabriele Orlando, Daniele Raimondi, Wim F. Vranken
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/61e9c1f7f5bf4e32be70987487f4bd26
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Sumario:NMR chemical shift information is highly valuable in the investigation of small molecule and protein structure. Here, the authors developed a neural network approach to unify protein chemical shifts and their changes in response to changes in protein sequence, structure, and dimerization interactions.