In silico evidence that protein unfolding is as a precursor of the protein aggregation
Soft Condensed Matter
2022-07-01 v1 Biological Physics
Biomolecules
Abstract
We present a computational study on the folding and aggregation of proteins in aqueous environment, as 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.
Keywords
Cite
@article{arxiv.1906.05010,
title = {In silico evidence that protein unfolding is as a precursor of the protein aggregation},
author = {Valentino Bianco and Giancarlo Franzese and Ivan Coluzza},
journal= {arXiv preprint arXiv:1906.05010},
year = {2022}
}