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CLoNe: automated clustering based on local density neighborhoods for application to biomolecular structural ensembles

MOTIVATION: Proteins are intrinsically dynamic entities. Flexibility sampling methods, such as molecular dynamics or those arising from integrative modeling strategies, are now commonplace and enable the study of molecular conformational landscapes in many contexts. Resulting structural ensembles in...

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Detalles Bibliográficos
Autores principales: Träger, Sylvain, Tamò, Giorgio, Aydin, Deniz, Fonti, Giulia, Audagnotto, Martina, Dal Peraro, Matteo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8128458/
https://www.ncbi.nlm.nih.gov/pubmed/32821900
http://dx.doi.org/10.1093/bioinformatics/btaa742