SOFTWARE DISTRIBUTION: TCASIM, TCACALC, TCAFLUX

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 该资源开发了三个方案，每天都在使用。TcaSIM可以模拟复杂的代谢网络，包括柠檬酸循环、糖酵解、糖异生和失活。操作者控制所有途径中13C标记和通量的所有方面。该程序生成氨基酸、酮和葡萄糖等多种代谢物的13C核磁共振和HMQC-TOCSY谱，以及质谱图和串联质谱图。配套程序tcaCALC用于分析实验数据，根据观察到的核磁共振或质谱图确定与tcaSIM中使用的相同的代谢参数。这两个图谱都检查了通过途径的相对通量，而tcaFLUX则从13C核磁共振和HMQC-TOCSY谱的时间序列中确定了b溶质通量。TcaSIM、tcaCALC和tcaFLUX的详细信息已在以前的进度报告中描述。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Three programs have been developed by the Resource and are used on a daily basis. tcaSIM allows the simulation of complex metabolic networks including the citric acid cycle, glycolysis, gluconeogenesis and anaplerosis. The operator controls all aspects of 13C labeling and fluxes in all pathways. The program generates 13C NMR and HMQC-TOCSY spectra, as well as mass and tandem mass spectra, of numerous metabolites such as amino acids, ketones and glucose. The companion program tcaCALC is used to analyze experimental data, determining the same metabolic parameters as used in tcaSIM from observed NMR or mass spectra. Both these rograms examine the relative flux through pathways, while tcaFLUX determines bsolute fluxes from time series of 13C NMR and HMQC-TOCSY spectra. The details of tcaSIM, tcaCALC, and tcaFLUX have been described in previous progress reports.