In Silico Evidence That Protein Unfolding is a Precursor of Protein Aggregation.
Chemphyschem
; 21(5): 377-384, 2020 03 04.
Article
em En
| MEDLINE
| ID: mdl-31721405
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.
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Base de dados:
MEDLINE
Assunto principal:
Proteínas
/
Simulação de Dinâmica Molecular
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article