The full activation mechanism of the adenosine A<sub>1</sub> receptor revealed by GaMD and Su-GaMD simulations.

Li, Yang; Sun, Jixue; Li, Dongmei; Lin, Jianping

The full activation mechanism of the adenosine A₁ receptor revealed by GaMD and Su-GaMD simulations.

Li, Yang; Sun, Jixue; Li, Dongmei; Lin, Jianping.

Afiliación

Li Y; State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300350, China.
Sun J; College of Life Sciences, Nankai University, Tianjin 300350, China.
Li D; State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300350, China.
Lin J; State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300350, China.

Proc Natl Acad Sci U S A ; 119(42): e2203702119, 2022 10 18.

Article en En | MEDLINE | ID: mdl-36215480

Asunto(s)

Simulación de Dinámica Molecular; Receptores Purinérgicos P1; Adenosina; Proteínas de Unión al GTP/metabolismo; Ligandos; Receptor de Adenosina A1/metabolismo; Receptores Acoplados a Proteínas G/metabolismo; Receptores Purinérgicos P1/metabolismo; Termodinámica

Palabras clave

G proteincoupled receptor; enhanced sampling method; ligandâprotein recognition pathway; molecular dynamics simulations; proteinâprotein recognition pathway

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Receptores Purinérgicos P1 / Simulación de Dinámica Molecular Idioma: En Revista: Proc Natl Acad Sci U S A Año: 2022 Tipo del documento: Article País de afiliación: China

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