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Developing hybrid approaches to predict pKa values of ionizable groups
Accurate predictions of pKa values of titratable groups require taking into account all relevant processes associated with the ionization/deionization. Frequently, however, the ionization does not involve significant structural changes and the dominating effects are purely electrostatic in origin al...
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| Autors principals: | , , , , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2011
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3220190/ https://ncbi.nlm.nih.gov/pubmed/21744395 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.23097 |
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