NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination
نویسندگان
چکیده
منابع مشابه
NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination.
In this tutorial review, we discuss the utilization of chemical shift information as well as ab initio calculations of nuclear shieldings for protein structure determination. Both the empirical and computational aspects of the chemical shift are reviewed and the role of molecular dynamics and the accuracy of different computational methods are discussed. It is anticipated that incorporating the...
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ژورنال
عنوان ژورنال: Chem. Soc. Rev.
سال: 2010
ISSN: 0306-0012,1460-4744
DOI: 10.1039/b811366c