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Title: In silico evidence that protein unfolding is as a precursor of the protein aggregation
Author: Bianco, Valentino
Franzese, Giancarlo
Coluzza, Ivan
Keywords: Conformació de proteïnes
Biologia d'aigua dolça
Proteins conformation
Freshwater biology
Issue Date: 13-Nov-2019
Publisher: Wiley-VCH
Abstract: We present a computational study on the folding and aggregation of proteins in an aqueous environment, as a function of its concentration. We show how the increase of the concentration of individual protein species can induce a partial unfolding of the native conformation without the occurrence of aggregates. A further increment of the protein concentration results in the complete loss of the folded structures and induces the formation of protein aggregates. We discuss the effect of the protein interface on the water fluctuations in the protein hydration shell and their relevance in the protein‐protein interaction.
Note: Versió postprint del document publicat a:
It is part of: Chemphyschem, 2019, vol. 21, num. 5, p. 377-384
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ISSN: 1439-4235
Appears in Collections:Articles publicats en revistes (Física de la Matèria Condensada)

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