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http://hdl.handle.net/2445/179255
Title: | Protein Unfolding and Aggregation near a Hydrophobic Interface |
Author: | March Pons, David Bianco, Valentino Franzese, Giancarlo |
Keywords: | Proteïnes Superfícies hidrofòbiques Mètode de Montecarlo Proteins Hydrophobic surfaces Monte Carlo method |
Issue Date: | 3-Jan-2021 |
Publisher: | MDPI |
Abstract: | The behavior of proteins near interfaces is relevant for biological and medical purposes. Previous results in bulk show that, when the protein concentration increases, the proteins unfold and, at higher concentrations, aggregate. Here, we study how the presence of a hydrophobic surface affects this course of events. To this goal, we use a coarse-grained model of proteins and study by simulations their folding and aggregation near an ideal hydrophobic surface in an aqueous environment by changing parameters such as temperature and hydrophobic strength, related, e.g., to ions concentration. We show that the hydrophobic surface, as well as the other parameters, affect both the protein unfolding and aggregation. We discuss the interpretation of these results and define future lines for further analysis, with their possible implications in neurodegenerative diseases. |
Note: | Reproducció del document publicat a: https://doi.org/10.3390/polym13010156 |
It is part of: | Polymers, 2021, vol. 13, num. 1, p. 156 |
URI: | http://hdl.handle.net/2445/179255 |
Related resource: | https://doi.org/10.3390/polym13010156 |
ISSN: | 2073-4360 |
Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) |
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