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Characterizing Protein Protonation Microstates Using Monte Carlo Sampling
[Image: see text] Proteins are polyelectrolytes with acidic and basic amino acids Asp, Glu, Arg, Lys, and His, making up ≈25% of the residues. The protonation state of residues, cofactors, and ligands defines a “protonation microstate”. In an ensemble of proteins some residues will be ionized and ot...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8997239/ https://www.ncbi.nlm.nih.gov/pubmed/35344367 http://dx.doi.org/10.1021/acs.jpcb.2c00139 |