Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments

[Image: see text] Chemical probing experiments such as SHAPE are routinely used to probe RNA molecules. In this work, we use atomistic molecular dynamics simulations to test the hypothesis that binding of RNA with SHAPE reagents is affected by cooperative effects leading to an observed reactivity th...

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Detalles Bibliográficos
Autores principales: Calonaci, Nicola, Bernetti, Mattia, Jones, Alisha, Sattler, Michael, Bussi, Giovanni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10308816/
https://www.ncbi.nlm.nih.gov/pubmed/37288967
http://dx.doi.org/10.1021/acs.jctc.3c00084

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10308816/
https://www.ncbi.nlm.nih.gov/pubmed/37288967
http://dx.doi.org/10.1021/acs.jctc.3c00084

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