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. 2009 Aug 13;5(8):e1000461. doi: 10.1371/journal.pcbi.1000461

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Roos et al.

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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Time course in the MD simulation of the distance between A Cys32^TrxS_γ and Trp28^TrxN and between B Cys32^TrxS_γ and Cys29^TrxN, with ionized (black) and neutral (red) Cys82^ArsC. C Example of one MD snapshot with the Cys32^TrxS_γ—Cys29^TrxN and Cys32^TrxS_γ—Trp28^TrxN hydrogen bonds introduced, when Cys82^ArsC is deprotonated.