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ClustENMD: efficient sampling of biomolecular conformational space at atomic resolution

SUMMARY: Efficient sampling of conformational space is essential for elucidating functional/allosteric mechanisms of proteins and generating ensembles of conformers for docking applications. However, unbiased sampling is still a challenge especially for highly flexible and/or large systems. To addre...

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Detalles Bibliográficos
Autores principales:	Kaynak, Burak T, Zhang, She, Bahar, Ivet, Doruker, Pemra
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2021
Materias:	Applications Notes
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8570821/ https://www.ncbi.nlm.nih.gov/pubmed/34240100 http://dx.doi.org/10.1093/bioinformatics/btab496

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