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Multimolecule test-tube simulations of protein unfolding and aggregation

Molecular dynamics simulations of protein folding or unfolding, unlike most in vitro experimental methods, are performed on a single molecule. The effects of neighboring molecules on the unfolding/folding pathway are largely ignored experimentally and simply not modeled computationally. Here, we pre...

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Détails bibliographiques
Auteurs principaux: McCully, Michelle E., Beck, David A. C., Daggett, Valerie
Format: Artigo
Langue:Inglês
Publié: National Academy of Sciences 2012
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3497795/
https://ncbi.nlm.nih.gov/pubmed/23091038
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1201809109
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