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. 2016 Dec 28;13(2):666–678. doi: 10.1021/acs.jctc.6b00918

Figure 2.

Figure 2

Nucleobases water interaction study. (A) Water molecule positions in the methylated nucleobases-water dimers. (B) Interaction energy calculated using AMOEBA and RIMP2/aug-cc-pVTZ.