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. Author manuscript; available in PMC: 2019 Jan 28.
Published in final edited form as: Int J Comput Biol Drug Des. 2018 Mar 24;11(1-2):90–113. doi: 10.1504/IJCBDD.2018.090834

Figure 4.

Figure 4

Deriving HDX-MS data from high-temperature MD simulations of C3d. Histograms of differences obtained when assessing the goodness-of-fit between the experimentally-observed HDX-MS data and the HDX-MS data derived from single conformations extracted from MD simulations of C3d at 400 K, 450 K and 500 K respectively.