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. Author manuscript; available in PMC: 2016 Apr 14.
Published in final edited form as: J Chem Theory Comput. 2015 Mar 11;11(4):1792–1808. doi: 10.1021/ct5009558

Figure 2.

Figure 2

Partial atomic charges of terminally-blocked peptide group (a), phosphate group (b), glutamine side chain (c), and cytosine nucleoside with sugar ring and base (d). Both ends of the peptide group (a) and phosphate group (b) are blocked by methyl groups. Only the left end of the glutamine side chain (c) and the cytosine nucleoside (d) are blocked by a methyl group. The right end of the glutamine side chain and the cytosine nucleoside are free.