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Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution

Human NEET proteins, such as NAF-1 and mitoNEET, are homodimeric, redox iron-sulfur proteins characterized by triple cysteine and one histidine-coordinated [2Fe-2S] cluster. They exist in an oxidized and reduced state. Abnormal release of the cluster is implicated in a variety of diseases, including...

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Detalles Bibliográficos
Autores principales:	Hoang, Linh Gia, Goßen, Jonas, Capelli, Riccardo, Nguyen, Toan T., Sun, Zhaoxi, Zuo, Ke, Schulz, Jörg B., Rossetti, Giulia, Carloni, Paolo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Cell and Developmental Biology
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9086288/ https://www.ncbi.nlm.nih.gov/pubmed/35557955 http://dx.doi.org/10.3389/fcell.2022.886568

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