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Development and Testing of Force Field Parameters for Phenylalanine and Tyrosine Derivatives

Theoretical analyses are valuable for the exploration of the effects of unnatural amino acids on enzyme functions; however, many necessary parameters for unnatural amino acids remain lacking. In this study, we developed and tested force field parameters compatible with Amber ff14SB for 18 phenylalan...

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Detalles Bibliográficos
Autores principales: Wang, Xiaowen, Li, Wenjin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7770134/
https://www.ncbi.nlm.nih.gov/pubmed/33385013
http://dx.doi.org/10.3389/fmolb.2020.608931