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ATP–Magnesium Coordination: Protein Structure-Based Force Field Evaluation and Corrections

[Image: see text] In the numerous molecular recognition and catalytic processes across biochemistry involving adenosine triphosphate (ATP), the common bioactive form is its magnesium chelate, ATP·Mg(2+). In aqueous solution, two chelation geometries predominate, distinguished by bidentate and triden...

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Detalles Bibliográficos
Autores principales: Buelens, Floris P., Leonov, Hadas, de Groot, Bert L., Grubmüller, Helmut
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8023659/
https://www.ncbi.nlm.nih.gov/pubmed/33616388
http://dx.doi.org/10.1021/acs.jctc.0c01205