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. Author manuscript; available in PMC: 2018 May 9.
Published in final edited form as: J Chem Theory Comput. 2017 Apr 19;13(5):2072–2085. doi: 10.1021/acs.jctc.7b00068

Figure 5.

Figure 5

Helicoidal parameter distributions from 1-μs simulations of five B-DNA structures compared to a crystal survey consisting of all B-DNA structures with resolution ≤ 2.5 Å, excluding any structures containing modified nucleotides, protein, RNA, or ligands. Each distribution from the MD simulations is based on snapshots at 10-ps intervals for a total of 100,000 samples per system. Histograms were constructed using a bin size of 5° for angles and 0.4 Å for distances.