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Rapid Calculation of Protein pK(a) Values Using Rosetta
We developed a Rosetta-based Monte Carlo method to calculate the pK(a) values of protein residues that commonly exhibit variable protonation states (Asp, Glu, Lys, His, and Tyr). We tested the technique by calculating pK(a) values for 264 residues from 34 proteins. The standard Rosetta score functio...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2012
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3414879/ https://ncbi.nlm.nih.gov/pubmed/22947875 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2012.06.044 |
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