The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes.

Bao, Huayin; Wang, Wei; Sun, Haibo; Chen, Jianzhong

Bao, Huayin; Wang, Wei; Sun, Haibo; Chen, Jianzhong.

Afiliación

Bao H; School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, China.
Wang W; School of Science, Shandong Jiaotong University, Jinan, China.
Sun H; School of Science, Shandong Jiaotong University, Jinan, China.
Chen J; School of Science, Shandong Jiaotong University, Jinan, China.

J Biomol Struct Dyn ; 42(7): 3363-3381, 2024 Apr.

Article en En | MEDLINE | ID: mdl-37216340

Asunto(s)

Simulación de Dinámica Molecular; Mutación Puntual; Entropía; Mutación

Palabras clave

Gaussian accelerated molecular dynamics; HRAS; free energy landscape; interaction network; principal component analysis

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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Mutación Puntual / Simulación de Dinámica Molecular Idioma: En Revista: J Biomol Struct Dyn Año: 2024 Tipo del documento: Article País de afiliación: China

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