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A multi-modal coarse grained model of DNA flexibility mappable to the atomistic level

We present a new coarse grained method for the simulation of duplex DNA. The algorithm uses a generalized multi-harmonic model that can represent any multi-normal distribution of helical parameters, thus avoiding caveats of current mesoscopic models for DNA simulation and representing a breakthrough...

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Detalles Bibliográficos
Autores principales: Walther, Jürgen, Dans, Pablo D, Balaceanu, Alexandra, Hospital, Adam, Bayarri, Genís, Orozco, Modesto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7049737/
https://www.ncbi.nlm.nih.gov/pubmed/31956910
http://dx.doi.org/10.1093/nar/gkaa015