Sucrose in aqueous solution revisited, Part 1: Molecular dynamics simulations and direct and indirect dipolar coupling analysis

Biopolymers

Volumn 97, Issue 5, 2012, Pages 276-288

  Xia, Junchao ^a   Case, David A ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

carbohydrates; molecular dynamics; NMR

Indexed keywords

CONFORMATIONAL DISTRIBUTION; CRYSTAL CONFORMATION; DILUTE SOLUTION; DIPOLAR COUPLINGS; FORCE FIELDS; GLYCOSIDIC LINKAGES; INTRAMOLECULAR HYDROGEN BOND; MOLECULAR DYNAMICS SIMULATIONS; NMR MEASUREMENTS; PHASE ANGLES; RESIDUAL DIPOLAR COUPLINGS; SPIN-SPIN COUPLINGS; WATER MODELS;

CARBOHYDRATES; CONFORMATIONS; NUCLEAR MAGNETIC RESONANCE; SOLUTIONS; SUGAR (SUCROSE); SUGARS;

MOLECULAR DYNAMICS;

FRUCTOSE; SUCROSE;

AQUEOUS SOLUTION; ARTICLE; COMPUTER SIMULATION; CONFORMATION; CRYSTAL STRUCTURE; HYDROGEN BOND; MOLECULAR DYNAMICS;

CARBOHYDRATE SEQUENCE; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; SOLUTIONS; SUCROSE; THERMODYNAMICS; WATER;

EID: 84857637811     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.22017     Document Type: Article

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