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On the evaluation and optimization of protein X-ray structures for pKa calculations

The calculation of the physical properties of a protein from its X-ray structure is of importance in virtually every aspect of modern biology. Although computational algorithms have been developed for calculating everything from the dynamics of a protein to its binding specificity, only limited info...

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Detalhes bibliográficos
Main Authors: Nielsen, Jens Erik, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: Cold Spring Harbor Laboratory Press 2003
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2312414/
https://ncbi.nlm.nih.gov/pubmed/12538895
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