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Conformational relaxation and water penetration coupled to ionization of internal groups in proteins
Molecular dynamics simulations were used to examine the effects of ionization of internal groups on the structures of eighteen variants of staphylococcal nuclease (SNase) with internal Lys, Asp, or Glu. In most cases the RMSD values of internal ionizable side chains were larger when the ionizable mo...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3373309/ https://ncbi.nlm.nih.gov/pubmed/21428436 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp110373f |
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