Department of Systems Biology, Harvard Medical School, Boston, MA 02115, USA.
Bioinformatics. 2012 May 1;28(9):1284-6. doi: 10.1093/bioinformatics/bts126. Epub 2012 Mar 15.
Molecular networks are often studied in diverse cellular or experimental contexts, with highly context-specific details. Modelling introduces further choices as to levels of mathematical description. The resulting possibilities are difficult to explore rapidly, hampering the integration of modelling and experiment. We have developed Proteus, a web-based, context-specific tool for building compartmentalized, ordinary differential equation (ODE) models. It is inspired by the idea of a molecular 'toolkit' for Ca(2+) signalling. Toolkits in Proteus are context-independent representations of biological systems as sets of components, which may correspond to mechanisms of differing levels of complexity. Users pick and choose components from a toolkit and, for each component, pick and choose from different mechanisms, each of which describes a different instantiation of the component's mechanism. Proteus combines these choices into a system of ODEs, which may then be downloaded in SBML (Systems Biology Markup Language), Matlab or Fortran format and independently analyzed. Toolkits, components and mechanisms are user-constructible, either de novo or by cannibalizing existing models, including all those in the Biomodels database. A wide variety of context-specific models may thereby be rapidly built, modified and explored.
Proteus, implemented in C#, and a prototype toolkit for modelling calcium signalling are freely and universally available at www.modularmodeling.com
gnad.florian@gene.com; jeremy@hms.harvard.edu
Supplementary data are available at Bioinformatics online.
分子网络通常在不同的细胞或实验环境中进行研究,具有高度特定于上下文的细节。建模引入了进一步的选择,即数学描述的水平。由此产生的可能性很难快速探索,阻碍了建模和实验的整合。我们开发了 Proteus,这是一种基于网络的、特定于上下文的工具,用于构建分区的常微分方程(ODE)模型。它的灵感来自于 Ca(2+)信号传导的分子“工具包”的想法。在 Proteus 中,工具包是生物系统的上下文独立表示,作为组件集,这些组件可能对应于不同复杂程度的机制。用户从工具包中挑选组件,并为每个组件从不同的机制中进行选择,每个机制描述了组件机制的不同实例。Proteus 将这些选择组合成一个 ODE 系统,然后可以以 SBML(系统生物学标记语言)、Matlab 或 Fortran 格式下载,并独立进行分析。工具包、组件和机制是用户可构建的,可以从头开始构建,也可以通过“蚕食”现有模型(包括 Biomodels 数据库中的所有模型)来构建。这样可以快速构建、修改和探索各种特定于上下文的模型。
Proteus 是用 C#编写的,用于建模钙信号的原型工具包可在 www.modularmodeling.com 上免费和普遍获得。
gnad.florian@gene.com;jeremy@hms.harvard.edu
补充数据可在 Bioinformatics 在线获得。