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. 2014 May 27;9(5):e97153. doi: 10.1371/journal.pone.0097153

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© 2014 Meli 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 direct comparison between experimental (red) and calculated (black) S² parameters. Comparison between the two values for the apo (a) and holo (b) systems for S² calculated over the whole trajectory. Panel c) shows the comparison of experimental (red) S² parameters with values calculated over the 100 ns trajectory interval (black) that yield the best agreement (200–300 ns).