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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| 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 |