Unblocked statistical-coil tetrapeptides in aqueous solution: Quantum-chemical computation of the carbon-13 NMR chemical shifts

Journal of Biomolecular NMR

Volumn 26, Issue 2, 2003, Pages 113-130

  Vila, Jorge A ^a,b   Baldoni, Héctor A ^a   Ripoll, Daniel R ^b   Scheraga, Harold A ^b  

^a UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

^b Department of Obstetrics Gynecology   (United States)

Author keywords

Ab initio (DFT) chemical shifts; Clustering; Random coils; Statistical coils; Vicinal coupling constant

Indexed keywords

ARGININE; GLUTAMIC ACID; GLUTAMINE; GLYCINE; HISTIDINE; ISOLEUCINE; LEUCINE; LYSINE; PHENYLALANINE; TETRAGASTRIN DERIVATIVE; THREONINE; TYROSINE; VALINE;

ALPHA HELIX; AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; CARBON NUCLEAR MAGNETIC RESONANCE; CLUSTER ANALYSIS; CONTROLLED STUDY; CORRELATION COEFFICIENT; DATA BASE; MATHEMATICAL COMPUTING; PH; PRIORITY JOURNAL; PROTEIN CONFORMATION; QUANTUM CHEMISTRY; STATISTICAL ANALYSIS; STATISTICAL CONCEPTS; TERMINAL SEQUENCE;

AMINO ACID SEQUENCE; CARBON ISOTOPES; CLUSTER ANALYSIS; MODELS, THEORETICAL; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OLIGOPEPTIDES; PROTEIN STRUCTURE, SECONDARY; QUANTUM THEORY; SOLUTIONS;

EID: 0038324565     PISSN: 09252738     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023524727484     Document Type: Article

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