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To Milliseconds and Beyond: Challenges in the Simulation of Protein Folding

Quantitatively accurate all-atom molecular dynamics (MD) simulations of protein folding have long been considered a holy grail of computational biology. Due to the large system sizes and long timescales involved, such a pursuit was for many years computationally intractable. Further, sufficiently ac...

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Detalles Bibliográficos
Main Authors: Lane, Thomas J., Shukla, Diwakar, Beauchamp, Kyle A., Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado: 2012
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3673555/
https://ncbi.nlm.nih.gov/pubmed/23237705
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.sbi.2012.11.002
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