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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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Detalles Bibliográficos
Autores principales: Bergonzo, Christina, Hall, Kathleen B., Cheatham, Thomas E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4944181/
https://www.ncbi.nlm.nih.gov/pubmed/27294370
http://dx.doi.org/10.1021/acs.jctc.6b00173