Effects of Environmental and Electric Perturbations on the pKa of Thioredoxin Cysteine 35: A Computational Study

Here we present a theoretical-computational study dealing with the evaluation of the pKa of the Cysteine residues in Thioredoxin (TRX) and in its complex with the Thioredoxin-interacting protein (TXNIP). The free energy differences between the anionic and neutral form of the Cysteine 32 and 35 have...

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Detalles Bibliográficos
Autores principales: D’Annibale, Valeria, Fracassi, Donatella, Marracino, Paolo, D’Inzeo, Guglielmo, D’Abramo, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570579/
https://www.ncbi.nlm.nih.gov/pubmed/36234991
http://dx.doi.org/10.3390/molecules27196454

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570579/
https://www.ncbi.nlm.nih.gov/pubmed/36234991
http://dx.doi.org/10.3390/molecules27196454

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