Conformational and Dynamical Properties of Disaccharides in Water: a Molecular Dynamics Study

Explicit-solvent molecular dynamics simulations (50 ns, 300 K) of the eight reducing glucose disaccharides (kojibiose, sophorose, nigerose, laminarabiose, maltose, cellobiose, isomaltose, and gentiobiose) have been carried out using the GROMOS 45A4 force field (including a recently reoptimized carbo...

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Detalhes bibliográficos
Main Authors: Pereira, Cristina S., Kony, David, Baron, Riccardo, Müller, Martin, van Gunsteren, Wilfred F., Hünenberger, Philippe H.
Formato: Artigo
Idioma:Inglês
Publicado em: Biophysical Society 2006
Assuntos:
Biophysical Theory and Modeling
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1471844/
https://ncbi.nlm.nih.gov/pubmed/16581848
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.081539
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