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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Détails bibliographiques
Auteurs principaux: Pereira, Cristina S., Kony, David, Baron, Riccardo, Müller, Martin, van Gunsteren, Wilfred F., Hünenberger, Philippe H.
Format: Artigo
Langue:Inglês
Publié: Biophysical Society 2006
Sujets:
Biophysical Theory and Modeling
Accès en ligne: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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