Methyl dynamics in crystalline amino acids: MD and NMR

Journal of Computational Chemistry

Volumn 24, Issue 9, 2003, Pages 1052-1058

  Chatfield, David C ^a   Augsten, Alberto ^a   D'Cunha, Cassian ^a   Wong, Sergio E ^a  

^a FLORIDA INTERNATIONAL UNIVERSITY   (United States)

Author keywords

Correlation time; Crystalline amino acids; MD simulation; MD NMR; Methyl rotation

Indexed keywords

AMINO ACID; CYCLO(ALANYLALANYL); CYCLOPEPTIDE; LEUCINE; METHANE; VALINE;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; AMINO ACIDS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; LEUCINE; METHANE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES, CYCLIC; PROTEIN CONFORMATION; THERMODYNAMICS; VALINE;

COMPUTER SIMULATION; CORRELATION THEORY; CRYSTALLINE MATERIALS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; X RAY ANALYSIS;

ROTATIONAL BARRIERS;

AMINO ACIDS;

EID: 0037833491     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10263     Document Type: Article

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