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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6465982/ https://www.ncbi.nlm.nih.gov/pubmed/30988254 http://dx.doi.org/10.1107/S205979831900175X |