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Deciphering Solution Scattering Data with Experimentally Guided Molecular Dynamics Simulations

[Image: see text] Time-resolved X-ray solution scattering is an increasingly popular method to measure conformational changes in proteins. Extracting structural information from the resulting difference X-ray scattering data is a daunting task. We present a method in which the limited but precious i...

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Detalles Bibliográficos
Publicado en:J Chem Theory Comput
Main Authors: Björling, Alexander, Niebling, Stephan, Marcellini, Moreno, van der Spoel, David, Westenhoff, Sebastian
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2015
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4325560/
https://ncbi.nlm.nih.gov/pubmed/25688181
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5009735
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