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Calculations on the effect of sulfur-substitution on guanine on a DNA oligomer - oligomer containing thioguanine.

posted on 2017-08-11, 13:47 authored by Elaine MooreElaine Moore, YAO XUYAO XU
Results of calculations using molecular dynamics over 15 ns (AMBER) on a DNA oligomer containing thioguanine in explicit water (TIP3P).
Output of analysis of these results using AMBER tools and X3DNA to obtain variation of oligomer properties with time.