Conformational transformation of switch domains in GDP/K-Ras induced by G13 mutants: An investigation through Gaussian accelerated molecular dynamics simulations and principal component analysis.

Chen, Jianzhong; Wang, Lifei; Wang, Wei; Sun, Haibo; Pang, Laixue; Bao, Huayin

Chen, Jianzhong; Wang, Lifei; Wang, Wei; Sun, Haibo; Pang, Laixue; Bao, Huayin.

Chen J; School of Science, Shandong Jiaotong University, Jinan, 250357, China. Electronic address: chenjianzhong1970@163.com.
Wang L; School of Science, Shandong Jiaotong University, Jinan, 250357, China.
Wang W; School of Science, Shandong Jiaotong University, Jinan, 250357, China.
Sun H; School of Science, Shandong Jiaotong University, Jinan, 250357, China.
Pang L; School of Science, Shandong Jiaotong University, Jinan, 250357, China.
Bao H; School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, 250355, China. Electronic address: baohuayin@163.com.

Comput Biol Med ; 135: 104639, 2021 08.

Article en En | MEDLINE | ID: mdl-34247129

Asunto(s)

Simulación de Dinámica Molecular; Proteínas ras; Guanosina Difosfato; Guanosina Trifosfato; Humanos; Análisis de Componente Principal; Conformación Proteica; Proteínas ras/metabolismo

Palabras clave

G13 mutants; Gaussian accelerated molecular dynamics; Interaction scanning; K-Ras; Principal component analysis

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Proteínas ras / Simulación de Dinámica Molecular Límite: Humans Idioma: En Año: 2021 Tipo del documento: Article

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