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

SYSNO ASEP	0332605
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin-Spin Coupling
Author(s)	Dračínský, Martin (UOCHB-X)_{RID, ORCID} Kaminský, Jakub (UOCHB-X)_{RID, ORCID} Bouř, Petr (UOCHB-X)_{RID, ORCID}
Number of authors	3
Source Title	Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106 Roč. 113, č. 44 (2009), s. 14698-14707
Number of pages	10 s.
Language	eng - English
Country	US - United States
Keywords	NMR spectroscopy ; CPMD ; molecular dynamics ; solvent effects
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA202/07/0732 GA ČR - Czech Science Foundation (CSF)
	IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000271105600020
DOI	10.1021/jp9034198
Annotation	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.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2010

Number of the records: 1