Bridging the Coordination Chemistry of Small Compounds and Metalloproteins Using Machine Learning.

Kapuscinska, Katarzyna; Dukala, Zofia; Doha, Mekhola; Ansari, Eman; Wang, Jimin; Brudvig, Gary W; Brooks, Bernand; Amin, Muhamed

Kapuscinska, Katarzyna; Dukala, Zofia; Doha, Mekhola; Ansari, Eman; Wang, Jimin; Brudvig, Gary W; Brooks, Bernand; Amin, Muhamed.

Afiliación

Kapuscinska K; Department of Sciences, University College Groningen, University of Groningen, 9718 BG Groningen, The Netherlands.
Dukala Z; Department of Sciences, University College Groningen, University of Groningen, 9718 BG Groningen, The Netherlands.
Doha M; Department of Sciences, University College Groningen, University of Groningen, 9718 BG Groningen, The Netherlands.
Ansari E; Department of Sciences, University College Groningen, University of Groningen, 9718 BG Groningen, The Netherlands.
Wang J; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520, United States.
Brudvig GW; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520, United States.
Brooks B; Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States.
Amin M; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, United States.

J Chem Inf Model ; 64(7): 2586-2593, 2024 Apr 08.

Article en En | MEDLINE | ID: mdl-38054243

Asunto(s)

Metaloproteínas; Metaloproteínas/química; Metales/química; Oxidación-Reducción; Cristalografía por Rayos X; Iones

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Metaloproteínas Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Países Bajos

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