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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Hlavní autoři: Pereira, Cristina S., Kony, David, Baron, Riccardo, Müller, Martin, van Gunsteren, Wilfred F., Hünenberger, Philippe H.
Médium: Artigo
Jazyk:Inglês
Vydáno: Biophysical Society 2006
Témata:
Biophysical Theory and Modeling
On-line přístup: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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