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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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Dehof, Anna Katharina, Loew, Simon, Lenhof, Hans-Peter, Hildebrandt, Andreas
Format: Artigo
Sprache:Inglês
Veröffentlicht: BioMed Central 2013
Schlagworte:
Online Zugang: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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