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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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Bibliografiske detaljer
Main Authors: Damjanović, Ana, Brooks, Bernard R., Bertrand García-Moreno, E
Format: Artigo
Sprog:Inglês
Udgivet: 2011
Fag:
Online adgang: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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