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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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Bibliografski detalji
Izdano u:Protein Sci
Glavni autori: Schwieters, Charles D., Bermejo, Guillermo A., Clore, G. Marius
Format: Artigo
Jezik:Inglês
Izdano: John Wiley & Sons, Inc. 2019
Teme:
Online pristup: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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