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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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Bibliografske podrobnosti
izdano v:Molecules
Main Authors: Zhou, Yan, Ojeda-May, Pedro, Nagaraju, Mulpuri, Kim, Bryant, Pu, Jingzhi
Format: Artigo
Jezik:Inglês
Izdano: MDPI 2018
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6222333/
https://ncbi.nlm.nih.gov/pubmed/30332773
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules23102652
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