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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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Détails bibliographiques
Auteurs principaux: Goh, Garrett B., Knight, Jennifer L., Brooks, Charles L.
Format: Artigo
Langue:Inglês
Publié: 2012
Sujets:
Accès en ligne: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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