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- W2911827240 abstract "The ionic molecules nitrate (NO3−) and nitrate (NO2−) were believed to be detrimental to human health, but recently are considered to be beneficial on the nitric oxide regulation in human body. The transporter protein, Nark, efficiently moves the NO3− and NO2− across the membrane to maintain the homeostatic level of the two ionic molecules as vital metabolites. Based on experimental evidence, Zheng and coworkers proposed a NO3−/NO2− exchange mechanism through the Nark. Here, we perform molecular dynamics simulations to probe the protein conformational changes associated with the NO3−/NO2− exchange cycle. Umbrella sampling is utilized to investigate the free energy profiles of NO3− and NO2− migrations." @default.
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- W2911827240 date "2019-02-01" @default.
- W2911827240 modified "2023-09-30" @default.
- W2911827240 title "A Computational Study of the Essential Transmembrane Protein Nark as Nitrate/Nitrite Exchanger" @default.
- W2911827240 doi "https://doi.org/10.1016/j.bpj.2018.11.2155" @default.
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