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Protein structure refinement using a quantum mechanics-based chemical shielding predictor

The accurate prediction of protein chemical shifts using a quantum mechanics (QM)-based method has been the subject of intense research for more than 20 years but so far empirical methods for chemical shift prediction have proven more accurate. In this paper we show that a QM-based predictor of a pr...

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Argitaratua izan da:Chem Sci
Egile Nagusiak: Bratholm, Lars A., Jensen, Jan H.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Royal Society of Chemistry 2017
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC5399634/
https://ncbi.nlm.nih.gov/pubmed/28451325
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c6sc04344e
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