The redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulations

1 ABSTRACT: BACKGROUND: The simulation of protein unfolding usually requires recording long molecular dynamics trajectories. The present work aims to figure out whether NMR restraints data can be used to probe protein conformations in order to accelerate the unfolding simulation. The SH3 domain of n...

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Detalles Bibliográficos
Autores principales: Duclert-Savatier, Nathalie, Martínez, Leandro, Nilges, Michael, Malliavin, Thérèse E
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2011
Materias:
Methodology Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274457/
https://www.ncbi.nlm.nih.gov/pubmed/22115427
http://dx.doi.org/10.1186/1472-6807-11-46

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274457/
https://www.ncbi.nlm.nih.gov/pubmed/22115427
http://dx.doi.org/10.1186/1472-6807-11-46

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