Toward direct determination of conformations of protein building units from multidimensional NMR experiments VI. Chemical shift analysis of his to gain 3D structure and protonation state information

Journal of Computational Chemistry

Volumn 26, Issue 13, 2005, Pages 1307-1317

  Hudáky, Péter ^a   Perczel, András ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

ab initio; Chemical shift; Conformational building unit; GIAO; Histidine; Model peptide; NMR; Prediction; Quantum chemical calculation; Structure

Indexed keywords

AMINO ACIDS; NUCLEAR MAGNETIC RESONANCE;

CHEMICAL SHIFT; HISTIDINES; PROTEIN BUILDING UNITS;

PROTEINS;

AMINO ACID; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION;

AMINO ACIDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN CONFORMATION; PROTEINS;

EID: 24144439154     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20266     Document Type: Article

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