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Accurately Predicting Protein pK(a) Values Using Nonequilibrium Alchemy
[Image: see text] The stability, solubility, and function of a protein depend on both its net charge and the protonation states of its individual residues. pK(a) is a measure of the tendency for a given residue to (de)protonate at a specific pH. Although pK(a) values can be resolved experimentally,...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10653114/ https://www.ncbi.nlm.nih.gov/pubmed/37820376 http://dx.doi.org/10.1021/acs.jctc.3c00721 |