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Catalytic Site pK(a) Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations
[Image: see text] Enzymatic function and activity of proteases is closely controlled by the pH value. The protonation states of titratable residues in the active site react to changes in the pH value, according to their pK(a), and thereby determine the functionality of the enzyme. Knowledge of the t...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7312390/ https://www.ncbi.nlm.nih.gov/pubmed/32348143 http://dx.doi.org/10.1021/acs.jcim.0c00190 |