Sucrose in aqueous solution revisited, Part 2: Adaptively biased molecular dynamics simulations and computational analysis of NMR relaxation

Biopolymers

Volumn 97, Issue 5, 2012, Pages 289-302

  Xia, Junchao ^a   Case, David A ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

carbohydrates; molecular dynamics; NMR

Indexed keywords

COMPUTATIONAL ANALYSIS; CONFORMATIONAL ENSEMBLE; CONFORMATIONAL FLUCTUATIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MOTIONS; NMR RELAXATION; NUCLEAR OVERHAUSER ENHANCEMENT; ORDER PARAMETER; PURE WATER; RELAXATION RATES; TIME CORRELATION FUNCTIONS; TIME-SCALES; TORSION ANGLE;

CARBOHYDRATES; CONFORMATIONS; MOLECULAR DYNAMICS; SUGAR (SUCROSE);

NUCLEAR MAGNETIC RESONANCE;

DIMETHYL SULFOXIDE; SUCROSE; WATER;

ADAPTIVE BIASING POTENTIAL METHOD; AQUEOUS SOLUTION; ARTICLE; CONFORMATIONAL TRANSITION; LOW TEMPERATURE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER EFFECT; SIMULATION;

DIMETHYL SULFOXIDE; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR DYNAMICS SIMULATION; SOLUTIONS; SUCROSE; THERMODYNAMICS; WATER;

EID: 84857637851     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.22004     Document Type: Article

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