Density functional calculations of 15N chemical shifts in solvated dipeptides

Journal of Biomolecular NMR

Volumn 41, Issue 2, 2008, Pages 77-88

  Cai, Ling ^a,b   Fushman, David ^a,b   Kosov, Daniel S ^a  

^a Bldg 142   (United States)

^b UNIVERSITY OF MARYLAND   (United States)

Author keywords

Chemical shielding tensor; Chemical shift calculation; Density functional calculation; Dipeptides; Nitrogen 15; Solvent effect

Indexed keywords

DIPEPTIDE; N METHYLACETAMIDE;

ALPHA HELIX; ANISOTROPY; ARTICLE; BETA SHEET; CALCULATION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; HYDROGEN BOND; NITROGEN NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN DATABASE; SOLVATION;

ACETAMIDES; DIPEPTIDES; MODELS, CHEMICAL; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN STRUCTURE, SECONDARY; SOLVENTS;

EID: 44949219081     PISSN: 09252738     EISSN: 15735001     Source Type: Journal    
DOI: 10.1007/s10858-008-9241-7     Document Type: Article

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