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. Author manuscript; available in PMC: 2019 Mar 19.
Published in final edited form as: J Chem Theory Comput. 2018 Jun 26;14(7):3763–3779. doi: 10.1021/acs.jctc.8b00091

Figure 1.

Figure 1.

Coarse-graining procedure underlying the TIS-DNA model. Each nucleotide is represented by three beads: one for the sugar, base, and the phosphate. These residues are represented using the same color code in the all-atom and the TIS-DNA representations. As shown above, in the case of a 12 base pair duplex, the number of degrees of freedom reduces from 1458 to 210 upon coarse-graining.