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Exploring histidine conformations in the M2 channel lumen of the influenza a virus at neutral pH via molecular simulations

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The pH-regulated M2 proton channel from the influenza A virus has a His-tetrad in its transmembrane (TM) domain that is essential for proton conduction. At neutral pH, the tetrad has been observed in two distinct configurations, the "His-box" and "dimer-of

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