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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Autors principals: Duclert-Savatier, Nathalie, Martínez, Leandro, Nilges, Michael, Malliavin, Thérèse E
Format: Artigo
Idioma:Inglês
Publicat: BioMed Central 2011
Matèries:
Methodology Article
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3274457/
https://ncbi.nlm.nih.gov/pubmed/22115427
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1472-6807-11-46
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