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Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data

Neutron crystallography is a powerful method to determine the positions of H atoms in macromolecular structures. However, it is sometimes hard to judge what would constitute a chemically reasonable model, and the geometry of H atoms depends more on the surroundings (for example the formation of hydr...

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Xehetasun bibliografikoak
Argitaratua izan da:Acta Crystallogr D Struct Biol
Egile Nagusiak: Caldararu, Octav, Manzoni, Francesco, Oksanen, Esko, Logan, Derek T., Ryde, Ulf
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: International Union of Crystallography 2019
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC6465982/
https://ncbi.nlm.nih.gov/pubmed/30988254
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S205979831900175X
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