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NightShift: NMR shift inference by general hybrid model training - a framework for NMR chemical shift prediction

BACKGROUND: NMR chemical shift prediction plays an important role in various applications in computational biology. Among others, structure determination, structure optimization, and the scoring of docking results can profit from efficient and accurate chemical shift estimation from a three-dimensio...

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Detalles Bibliográficos
Autores principales: Dehof, Anna Katharina, Loew, Simon, Lenhof, Hans-Peter, Hildebrandt, Andreas
Formato: Artigo
Lenguaje:Inglês
Publicado: BioMed Central 2013
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC3682865/
https://ncbi.nlm.nih.gov/pubmed/23496927
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-14-98
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