Accurate Bond Lengths to Hydrogen Atoms from Single‐Crystal X‐ray Diffraction by Including Estimated Hydrogen ADPs and Comparison to Neutron and QM/MM Benchmarks

Amino acid structures are an ideal test set for method‐development studies in crystallography. High‐resolution X‐ray diffraction data for eight previously studied genetically encoding amino acids are provided, complemented by a non‐standard amino acid. Structures were re‐investigated to study a wide...

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Detalles Bibliográficos
Autores principales: Dittrich, Birger, Lübben, Jens, Mebs, Stefan, Wagner, Armin, Luger, Peter, Flaig, Ralf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2017
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5434951/
https://www.ncbi.nlm.nih.gov/pubmed/28295691
http://dx.doi.org/10.1002/chem.201604705

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5434951/
https://www.ncbi.nlm.nih.gov/pubmed/28295691
http://dx.doi.org/10.1002/chem.201604705

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