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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...
Autores principales: | Calonaci, Nicola, Bernetti, Mattia, Jones, Alisha, Sattler, Michael, Bussi, Giovanni |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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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 |
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