RT Journal Article
T1 In silico evidence that protein unfolding is as a precursor of the protein aggregation
A1 Bianco, Valentino
A1 Franzese, Giancarlo
A1 Coluzza, Ivan
AB 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.
PB Wiley-VCH GmbH, Weinheim
SN 1439-7641
YR 2019
FD 2019-11-13
LK https://hdl.handle.net/20.500.14352/6631
UL https://hdl.handle.net/20.500.14352/6631
LA eng
NO Unión Europea. Horizonte 2020
NO Ministerio de Economía y Competitividad (MINECO)
NO Ministerio de Ciencia e Innovación (MICINN)/FEDER
NO Centro de Excelencia María de Maeztu
NO Austrian Sci- ence Fund (FWF)
DS Docta Complutense
RD 15 abr 2025