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. 2010 Feb 18;5(2):e9180. doi: 10.1371/journal.pone.0009180

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Kim 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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The distance between W47/W58 of PDC109/a and the N atom of PhC in the first (2.5 Å3.5 Å) (A) and second (5.2 Å6.0 Å) (B) minima were calculated from the trajectory saved from the PMF calculation in the window 2.0 Å6.0 Å. The corresponding results for the separation between Y60 of PDC109/a and PhC phosphate group are shown in (C) and (D).

Inline graphic — The distance between W47/W58 of PDC109/a and the N atom of PhC in the first (2.5 Å3.5 Å) (A) and second (5.2 Å6.0 Å) (B) minima were calculated from the trajectory saved from the PMF calculation in the window 2.0 Å6.0 Å. The corresponding results for the separation between Y60 of PDC109/a and PhC phosphate group are shown in (C) and (D).