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Getting the chemistry right: protonation, tautomers and the importance of H atoms in biological chemistry

There are more H atoms than any other type of atom in an X-ray crystal structure of a protein–ligand complex, but as H atoms only have one electron they diffract X-rays weakly and are ‘hard to see’. The positions of many H atoms can be inferred by our chemical knowledge, and such H atoms can be adde...

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Detalles Bibliográficos
Autores principales: Bax, Ben, Chung, Chun-wa, Edge, Colin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5297916/
https://www.ncbi.nlm.nih.gov/pubmed/28177309
http://dx.doi.org/10.1107/S2059798316020283