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

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.

利用分子动力学模拟在15纳秒（AMBER）时间尺度上对含有硫鸟嘌呤的DNA寡聚体在显式水分子的环境下（TIP3P）进行计算的结果。通过AMBER工具和X3DNA的分析输出，获取寡聚体性质随时间变化的规律。