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. Author manuscript; available in PMC: 2014 Jan 1.
Published in final edited form as: J Chem Theory Comput. 2012 Oct 23;9(1):707–721. doi: 10.1021/ct300671y

Figure 4.

Figure 4

Minor and major groove widths. Values were obtained as in Figure 2. The MD simulations mostly yield wider minor and major grooves than the experimental structures. MD data are for the WW state; values for the TT state are very similar.