Structural Aspects of the O‐glycosylation Linkage in Glycopeptides via MD Simulations and Comparison with NMR Experiments

A powerful conformational searching and enhanced sampling simulation method, and unbiased molecular dynamics simulations have been used along with NMR spectroscopic observables to provide a detailed structural view of O‐glycosylation. For four model systems, the force‐field parameters can accurately...

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Detalles Bibliográficos
Autores principales: Turupcu, Aysegül, Diem, Matthias, Smith, Lorna J., Oostenbrink, Chris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6563056/
https://www.ncbi.nlm.nih.gov/pubmed/30920077
http://dx.doi.org/10.1002/cphc.201900079

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6563056/
https://www.ncbi.nlm.nih.gov/pubmed/30920077
http://dx.doi.org/10.1002/cphc.201900079

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