Refinement of α-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods

The inherent flexibility of intrinsically disordered proteins (IDPs) makes it difficult to interpret experimental data using structural models. On the other hand, molecular dynamics simulations of IDPs often suffer from force-field inaccuracies, and long simulation times or enhanced sampling methods...

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Detalles Bibliográficos
Autores principales: Ahmed, Mustapha Carab, Skaanning, Line K., Jussupow, Alexander, Newcombe, Estella A., Kragelund, Birthe B., Camilloni, Carlo, Langkilde, Annette E., Lindorff-Larsen, Kresten
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100456/
https://www.ncbi.nlm.nih.gov/pubmed/33968988
http://dx.doi.org/10.3389/fmolb.2021.654333

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100456/
https://www.ncbi.nlm.nih.gov/pubmed/33968988
http://dx.doi.org/10.3389/fmolb.2021.654333

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