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Reweighting of molecular simulations with explicit-solvent SAXS restraints elucidates ion-dependent RNA ensembles

Small-angle X-ray scattering (SAXS) experiments are increasingly used to probe RNA structure. A number of forward models that relate measured SAXS intensities and structural features, and that are suitable to model either explicit-solvent effects or solute dynamics, have been proposed in the past ye...

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Detalles Bibliográficos
Autores principales: Bernetti, Mattia, Hall, Kathleen B, Bussi, Giovanni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8373061/
https://www.ncbi.nlm.nih.gov/pubmed/34107023
http://dx.doi.org/10.1093/nar/gkab459