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A three‐dimensional potential of mean force to improve backbone and sidechain hydrogen bond geometry in Xplor‐NIH protein structure determination

We introduce a new hydrogen bonding potential of mean force generated from high‐quality crystal structures for use in Xplor‐NIH structure calculations. This term applies to hydrogen bonds involving both backbone and sidechain atoms. When used in structure refinement calculations of 10 example protei...

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Detalles Bibliográficos
Publicado en:Protein Sci
Main Authors: Schwieters, Charles D., Bermejo, Guillermo A., Clore, G. Marius
Formato: Artigo
Idioma:Inglês
Publicado: John Wiley & Sons, Inc. 2019
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6933865/
https://ncbi.nlm.nih.gov/pubmed/31613020
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.3745
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