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. 2008 Mar 21;4(3):e1000034. doi: 10.1371/journal.pcbi.1000034

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Schäfer 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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(A, C) Snapshots from MD simulations of Z_trans and Z_cis, respectively. The blue dashed lines indicates the distance between the NH proton of MYG and Glu215, and the red dashed line that between the OH-group of Glu215 and the N_δ atom of His197. (B, D) Time-evolution of the two hydrogen bonds shown in (A) and (C) during representative force field MD simulations.