Conformational free energies of methyl- α -L-iduronic and methyl- Β -D-glucuronic acids in water

Journal of Chemical Physics

Volumn 132, Issue 10, 2010, Pages

  Babin, Volodymyr ^a   Sagui, Celeste ^a  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL RESOURCES; CONFORMATIONAL FREE ENERGY; D-GLUCURONIC ACID; DEGREES OF FREEDOM; EFFICIENT SAMPLING; EQUILIBRIUM PROPERTIES; EXPLICIT SOLVENTS; IDURONIC ACID; METHYL GLYCOSIDES; MOLECULAR DYNAMICS METHODS; NON EQUILIBRIUM; PARALLEL TEMPERING METHOD; REPLICA EXCHANGE; SIMULATION PROTOCOLS; SLOW MODE; UMBRELLA SAMPLING; WEIGHTED HISTOGRAM;

ACIDS; GLUCOSE; GRAPHIC METHODS; MOLECULAR DYNAMICS;

FREE ENERGY;

GLUCURONIC ACID; IDURONIC ACID; WATER;

ALGORITHM; ARTICLE; CARBOHYDRATE ANALYSIS; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; MOLECULAR GENETICS; THERMODYNAMICS;

ALGORITHMS; CARBOHYDRATE SEQUENCE; COMPUTER SIMULATION; GLUCURONIC ACID; IDURONIC ACID; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; THERMODYNAMICS; WATER;

EID: 77949619371     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3355621     Document Type: Article

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