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. 2012 Sep 27;7(9):e46279. doi: 10.1371/journal.pone.0046279

Figure 3. Preparation of cofactors for MD simulation and result of RMSD analysis.

Figure 3

Chemical structures of (A) oxidized FAD and (B) NADP+ are used in MD simulations. (C) Cα RMSDs are plotted from the initial structure in contrast with time for the AtNTR_CC (blue) and AtNTR_AC (red) MD simulations.