Engineering Tocopherol Selectivity in α-TTP: A Combined In Vitro/In Silico Study

We present a combined in vitro/in silico study to determine the molecular origin of the selectivity of [Image: see text]-tocopherol transfer protein ([Image: see text]-TTP) towards [Image: see text]-tocopherol. Molecular dynamics simulations combined to free energy perturbation calculations predict...

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Detalhes bibliográficos
Main Authors: Helbling, Rachel E., Aeschimann, Walter, Simona, Fabio, Stocker, Achim, Cascella, Michele
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2012
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3496730/
https://ncbi.nlm.nih.gov/pubmed/23152872
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0049195
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