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Binding Energy and Free Energy of Calcium Ion to Calmodulin EF-Hands with the Drude Polarizable Force Field

[Image: see text] Calcium ions are important messenger molecules in cells, which bind calcium-binding proteins to trigger many biochemical processes. We constructed four model systems, each containing one EF-hand loop of calmodulin with one calcium ion bound, and investigated the binding energy and...

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Detalles Bibliográficos
Autores principales:	Tan, Qiaozhu, Ding, Ye, Qiu, Zongyang, Huang, Jing
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9718305/ https://www.ncbi.nlm.nih.gov/pubmed/36855509 http://dx.doi.org/10.1021/acsphyschemau.1c00039

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