Molecular dynamics simulations of a cyclic-DP-240 amylose fragment in a periodic cell: Glass transition temperature and water diffusion

Carbohydrate Polymers

Volumn 78, Issue 4, 2009, Pages 978-986

  Momany, Frank A ^a   Willett, J L ^a   Schnupf, Udo ^a  

^a NATIONAL CENTER FOR AGRICULTURAL UTILIZATION RESEARCH   (United States)

Author keywords

c DP 240; Glass transition temperature; Molecular dynamics; Self diffusion coefficient

Indexed keywords

AMORPHOUS CELL; AMYLOSE CHAINS; C-DP-240; EXPERIMENTAL VALUES; FORCE FIELDS; GLASS TRANSITION TEMPERATURE; GLUCOSE RESIDUES; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATIONS; PERIODIC CELL; PICOSECONDS; SELF DIFFUSION COEFFICIENT; SELF-DIFFUSION COEFFICIENTS; WATER DIFFUSION; WATER MOLECULE;

CARBOHYDRATES; CELL MEMBRANES; DIFFUSION IN LIQUIDS; DYNAMIC POSITIONING; DYNAMICS; GLASS; GLUCOSE; MOLECULAR DYNAMICS; MOLECULES; PERCOLATION (SOLID STATE); POTENTIAL ENERGY; SUPERCONDUCTING TRANSITION TEMPERATURE;

GLASS TRANSITION;

EID: 69949103573     PISSN: 01448617     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbpol.2009.07.034     Document Type: Article

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