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Accurate Description of Protein–Protein Recognition and Protein Aggregation with the Implicit-Solvent-Based PACSAB Protein Model

We used the PACSAB protein model, based on the implicit solvation approach, to simulate protein–protein recognition and study the effect of helical structure on the association of aggregating peptides. After optimization, the PACSAB force field was able to reproduce correctly both the correct bindin...

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Detalles Bibliográficos
Autor principal:	Emperador, Agustí
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8659885/ https://www.ncbi.nlm.nih.gov/pubmed/34883675 http://dx.doi.org/10.3390/polym13234172

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