NMR relaxation parameters from molecular simulations of hydrated inorganic nanopores
نویسندگان
چکیده
منابع مشابه
Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations.
Comparatively small molecules such as peptides can show a high internal mobility with transitions between several conformational minima and sometimes coupling between rotational and internal degrees of freedom. In those cases the interpretation of NMR relaxation data is difficult and the use of standard methods for structure determination is questionable. On the other hand, in the case of those...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2014
ISSN: 0020-7608
DOI: 10.1002/qua.24708