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Bulk-solvent and overall scaling revisited: faster calculations, improved results

A fast and robust method for determining the parameters for a flat (mask-based) bulk-solvent model and overall scaling in macromolecular crystallographic structure refinement and other related calculations is described. This method uses analytical expressions for the determination of optimal values...

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Detalhes bibliográficos
Main Authors: Afonine, P. V., Grosse-Kunstleve, R. W., Adams, P. D., Urzhumtsev, A.
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3606040/
https://ncbi.nlm.nih.gov/pubmed/23519671
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S0907444913000462
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