Reconciling solvent effects on rotamer populations in carbohydrates - A joint MD and NMR analysis

Canadian Journal of Chemistry

Volumn 84, Issue 4, 2006, Pages 569-579

  Gonzalez Outeiriño, Jorge ^a   Kirschner, Karl N ^a   Thobhani, Smita ^a   Woods, Robert J ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

Carbohydrate; MD; Molecular dynamics simulation; NMR; Rotamer

Indexed keywords

CARBOHYDRATES; COMPUTER SIMULATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; SOLVENTS;

GALACTOPYRANOSIDE; HYDROGEN BONDING NETWORKS; MOLECULAR DYNAMICS SIMULATION; ROTAMER;

CONFORMATIONS;

2,3 DI O METHYL ALPHA DEXTRO GLUCOPYRANOSIDE; CARBOHYDRATE; HYDROGEN; METHYL 2,3 DI O METHYL ALPHA DEXTRO GALACTOPYRANOSIDE; OXYGEN; PYRANOSIDE; UNCLASSIFIED DRUG;

ARTICLE; CARBOHYDRATE ANALYSIS; CARBOHYDRATE SYNTHESIS; CHEMICAL ENVIRONMENT; CHEMICAL INTERACTION; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLARIZATION;

EID: 33746024043     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/V06-036     Document Type: Article

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