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Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics

[Image: see text] Small-angle X-ray scattering (SAXS) experiments provide low-resolution but valuable information about the dynamics of biomolecular systems, which could be ideally integrated into molecular dynamics (MD) simulations to accurately determine conformational ensembles of flexible protei...

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Detalles Bibliográficos
Autores principales: Paissoni, Cristina, Jussupow, Alexander, Camilloni, Carlo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7997378/
https://www.ncbi.nlm.nih.gov/pubmed/32119546
http://dx.doi.org/10.1021/acs.jctc.9b01181