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Histidine in Continuum Electrostatics Protonation State Calculations
A modification to the standard continuum electrostatics approach to calculate protein pK(a)s which allows for the decoupling of histidine tautomers within a two state model is presented. Histidine with four intrinsically coupled protonation states cannot be easily incorporated into a two state forma...
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| Publicado no: | Proteins |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4229071/ https://ncbi.nlm.nih.gov/pubmed/22072521 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.23114 |
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