Generalized Born Implicit Solvent Models Do Not Reproduce Secondary Structures of De Novo Designed Glu/Lys Peptides

[Image: see text] We test a range of standard generalized Born (GB) models and protein force fields for a set of five experimentally characterized, designed peptides comprising alternating blocks of glutamate and lysine, which have been shown to differ significantly in α-helical content. Sixty-five...

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Detalles Bibliográficos
Autores principales: Lang, Eric J. M., Baker, Emily G., Woolfson, Derek N., Mulholland, Adrian J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281390/
https://www.ncbi.nlm.nih.gov/pubmed/35687842
http://dx.doi.org/10.1021/acs.jctc.1c01172

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281390/
https://www.ncbi.nlm.nih.gov/pubmed/35687842
http://dx.doi.org/10.1021/acs.jctc.1c01172

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