In silico atomic tracing by substrate-product relationships in Escherichia coli intermediary metabolism
In silico atomic tracing by substrate-product relationships in Escherichia coli intermediary metabolism
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DOI：
10.1101/gr.1212003
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发表时间：
2003-11-01
期刊：
影响因子：
7
通讯作者：
Arita, M
中科院分区：
文献类型：
--
作者：
Arita, M
我们提出了一个软件系统，可以通过计算重现生化放射性同位素示踪剂实验。它由三个主要组件组成：从已知反应式导出的底物产物原子对应物的映射数据库、可以使用映射数据库计算两种给定化合物之间的所有路径的追踪引擎以及图形用户界面。由于该系统可以促进显示任何两种化合物之间的所有可能途径，并追踪代谢中的每个碳、氮或硫原子，因此它补充并连接了其他代谢数据库和固定模型的模拟。
We present a software system that computationally reproduces biochemical radioisotope-tracer experiments. It consists of three main components: A mapping database of substrate-product atomic correspondents derived from known reaction formulas, a tracing engine that can compute all pathways between two given compounds by using the mapping database, and a graphical user interface. As the system can facilitate the display of all possible pathways between any two compounds and the tracing of every single carbon, nitrogen, or Sulfur atom in the metabolism, it complements and bridges other metabolic databases and simulations on fixed models.