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Mapping Free Energy Pathways for ATP Hydrolysis in the E. coli ABC Transporter HlyB by the String Method

HlyB functions as an adenosine triphosphate (ATP)-binding cassette (ABC) transporter that enables bacteria to secrete toxins at the expense of ATP hydrolysis. Our previous work, based on potential energy profiles from combined quantum mechanical and molecular mechanical (QM/MM) calculations, has sug...

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Detalles Bibliográficos
Autores principales:	Zhou, Yan, Ojeda-May, Pedro, Nagaraju, Mulpuri, Kim, Bryant, Pu, Jingzhi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6222333/ https://www.ncbi.nlm.nih.gov/pubmed/30332773 http://dx.doi.org/10.3390/molecules23102652

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