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Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin-Spin Coupling

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    0332605 - ÚOCHB 2010 RIV US eng J - Journal Article
    Dračínský, Martin - Kaminský, Jakub - Bouř, Petr
    Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin-Spin Coupling.
    Journal of Physical Chemistry B. Roč. 113, č. 44 (2009), s. 14698-14707. ISSN 1520-6106. E-ISSN 1520-5207
    R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : NMR spectroscopy * CPMD * molecular dynamics * solvent effects
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 3.471, year: 2009

    Structure of the Alanine Hydration Shell was deduced from the NMR Chemical Shifts and Indirect Spin-Spin Coupling constants. They were measured in various pH an theoretically modeled.
    Permanent Link: http://hdl.handle.net/11104/0005547

     
     
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