QM/MM and MM MD Simulations on the Pyrimidine-Specific Nucleoside Hydrolase: A Comprehensive Understanding of Enzymatic Hydrolysis of Uridine.

Fan, Fangfang; Chen, Nanhao; Wang, Yongheng; Wu, Ruibo; Cao, Zexing

Fan, Fangfang; Chen, Nanhao; Wang, Yongheng; Wu, Ruibo; Cao, Zexing.

Afiliação

Fan F; State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 360015, China.
Chen N; Department of Chemistry, University of California , Davis, California 95616, United States.
Wang Y; School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, China.
Wu R; School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, China.
Cao Z; State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 360015, China.

J Phys Chem B ; 122(3): 1121-1131, 2018 01 25.

Article em En | MEDLINE | ID: mdl-29285933

Assuntos

Simulação de Dinâmica Molecular; N-Glicosil Hidrolases/metabolismo; Pirimidinas/metabolismo; Teoria Quântica; Uridina/metabolismo; Biocatálise; Hidrólise; N-Glicosil Hidrolases/química; Pirimidinas/química; Uridina/química

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Pirimidinas / Teoria Quântica / Uridina / Simulação de Dinâmica Molecular / N-Glicosil Hidrolases Idioma: En Revista: J Phys Chem B Assunto da revista: QUIMICA Ano de publicação: 2018 Tipo de documento: Article País de afiliação: China

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