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Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)

BACKGROUND: The structure and dynamics of DNA are critically related to its function. Molecular dynamics (MD) simulations augment experiment by providing detailed information about the atomic motions. However, to date the simulations have not been long enough for convergence of the dynamics and stru...

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Detalhes bibliográficos
Publicado no:Biochim Biophys Acta
Main Authors: Galindo-Murillo, Rodrigo, Roe, Daniel R., Cheatham, Thomas E.
Formato: Artigo
Idioma:Inglês
Publicado em: 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4339415/
https://ncbi.nlm.nih.gov/pubmed/25219455
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bbagen.2014.09.007
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