Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations

[Image: see text] Intrinsically disordered proteins play a key role in many biological processes, including the formation of biomolecular condensates within cells. A detailed characterization of their configurational ensemble and structure–function paradigm is crucial for understanding their biologi...

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Detalles Bibliográficos
Autores principales: Li, Lunna, Casalini, Tommaso, Arosio, Paolo, Salvalaglio, Matteo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097291/
https://www.ncbi.nlm.nih.gov/pubmed/35174713
http://dx.doi.org/10.1021/acs.jctc.1c00889

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097291/
https://www.ncbi.nlm.nih.gov/pubmed/35174713
http://dx.doi.org/10.1021/acs.jctc.1c00889

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