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Divalent Ion Dependent Conformational Changes in an RNA Stem-Loop Observed by Molecular Dynamics

[Image: see text] We compare the performance of five magnesium (Mg(2+)) ion models in simulations of an RNA stem loop which has an experimentally determined divalent ion dependent conformational shift. We show that despite their differences in parametrization and resulting van der Waals terms, inclu...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Bergonzo, Christina, Hall, Kathleen B., Cheatham, Thomas E.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2016
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4944181/
https://ncbi.nlm.nih.gov/pubmed/27294370
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00173
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