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Constant pH Molecular Dynamics Simulations of Nucleic Acids in Explicit Solvent

The nucleosides of adenine and cytosine have pKa values of 3.50 and 4.08, respectively, and are assumed to be unprotonated under physiological conditions. However, evidence from recent NMR and X-Ray crystallography studies has revealed the prevalence of protonated adenine and cytosine in RNA macromo...

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Detalhes bibliográficos
Main Authors: Goh, Garrett B., Knight, Jennifer L., Brooks, Charles L.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3277849/
https://ncbi.nlm.nih.gov/pubmed/22337595
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct2006314
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