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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Detalhes bibliográficos
Publicado no:Front Mol Biosci
Main Authors: Ahmed, Mustapha Carab, Skaanning, Line K., Jussupow, Alexander, Newcombe, Estella A., Kragelund, Birthe B., Camilloni, Carlo, Langkilde, Annette E., Lindorff-Larsen, Kresten
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2021
Assuntos:
Molecular Biosciences
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8100456/
https://ncbi.nlm.nih.gov/pubmed/33968988
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2021.654333
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