A macromolecule in a solvent: Adaptive resolution molecular dynamics simulation
نویسندگان
چکیده
منابع مشابه
A macromolecule in a solvent: adaptive resolution molecular dynamics simulation.
The authors report adaptive resolution molecular dynamics simulations of a flexible linear polymer in solution. The solvent, i.e., a liquid of tetrahedral molecules, is represented within a certain radius from the polymer's center of mass with a high level of detail, while a lower coarse-grained resolution is used for the more distant solvent. The high resolution sphere moves with the polymer a...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2007
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2714540