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Development and Validation of Fluorinated, Aromatic Amino Acid Parameters for Use with the AMBER ff15ipq Protein Force Field

[Image: see text] We developed force field parameters for fluorinated, aromatic amino acids enabling molecular dynamics (MD) simulations of fluorinated proteins. These parameters are tailored to the AMBER ff15ipq protein force field and enable the modeling of 4, 5, 6, and 7F-tryptophan, 3F- and 3,5F...

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Detalles Bibliográficos
Autores principales:	Yang, Darian T., Gronenborn, Angela M., Chong, Lillian T.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9014858/ https://www.ncbi.nlm.nih.gov/pubmed/35352936 http://dx.doi.org/10.1021/acs.jpca.2c00255

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