Molecular dynamics simulation and binding free energy calculations of microcin J25 binding to the FhuA receptor.

Li, Zhenhua; Chinnasamy, Sathishkumar; Zhang, Yonghong; Wei, Dong-Qing

Li, Zhenhua; Chinnasamy, Sathishkumar; Zhang, Yonghong; Wei, Dong-Qing.

Afiliación

Li Z; State Key Laboratory of Microbial Metabolism and College of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, China.
Chinnasamy S; State Key Laboratory of Microbial Metabolism and College of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, China.
Zhang Y; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing, China.
Wei DQ; State Key Laboratory of Microbial Metabolism and College of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, China.

J Biomol Struct Dyn ; 39(7): 2585-2594, 2021 Apr.

Article en En | MEDLINE | ID: mdl-32241226

Asunto(s)

Proteínas de Escherichia coli; Proteínas de la Membrana Bacteriana Externa; Bacteriocinas; Escherichia coli; Simulación de Dinámica Molecular

Palabras clave

FhuA; MD simulation; Microcin J25; binding free-energy calculation; ß-hair region

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Proteínas de Escherichia coli Idioma: En Revista: J Biomol Struct Dyn Año: 2021 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido

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