Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations.

Zeng, Juan; Chen, Jian; Xia, Fei; Cui, Qiang; Deng, Xianming; Xu, Xin

Zeng, Juan; Chen, Jian; Xia, Fei; Cui, Qiang; Deng, Xianming; Xu, Xin.

Afiliação

Zeng J; School of Biomedical Engineering, Guangdong Medical University, Dongguan 523808, China.
Chen J; School of Chemistry and Molecular Engineering, NYU-ECNU Center for Computational Chemistry at NYU Shanghai, East China Normal University, Shanghai 200062, China. fxia@chem.ecnu.edu.cn.
Xia F; School of Chemistry and Molecular Engineering, NYU-ECNU Center for Computational Chemistry at NYU Shanghai, East China Normal University, Shanghai 200062, China. fxia@chem.ecnu.edu.cn.
Cui Q; Departments of Chemistry, Physics and Biomedical Engineering, Boston University, 590 Commonwealth Avenue, Boston, MA 02215, USA.
Deng X; State Key Laboratory of Cellular Stress Biology Innovation Center for Cell Signaling Network, School of Life Sciences, Xiamen University, Fujian 361101, China. xmdeng@xmu.edu.cn.
Xu X; Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University, Shanghai 200433, China. xxchem@fudan.edu.cn.

Phys Chem Chem Phys ; 24(13): 7653-7665, 2022 Mar 30.

Article em En | MEDLINE | ID: mdl-35297922

Assuntos

Proteínas ras; Sítios de Ligação; Guanosina Trifosfato/química; Hidrólise; Mutação; Proteínas ras/química

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Proteínas ras Tipo de estudo: Diagnostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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