BioModME for building and simulating dynamic computational models of complex biological systems

Justin Womack, Viren Shah, Said H Audi, Scott S. Terhune, R. K. Dash
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Abstract

Molecular mechanisms of biological functions and disease processes are exceptionally complex, and our ability to interrogate and understand relationships is becoming increasingly dependent on the use of computational modeling. We have developed “BioModME”, a standalone R-based web application package, providing an intuitive and comprehensive graphical user interface to help investigators build, solve, visualize, and analyze computational models of complex biological systems. Some important features of the application package include multi-region system modeling, custom reaction rate laws and equations, unit conversion, model parameter estimation utilizing experimental data, and import and export of model information in the Systems Biology Matkup Language format. The users can also export models to MATLAB, R, and Python languages and the equations to LaTeX and Mathematical Markup Language formats. Other important features include an online model development platform, multi-modality visualization tool, and efficient numerical solvers for differential-algebraic equations and optimization. All relevant software information including documentation and tutorials can be found at https://mcw.marquette.edu/biomedical-engineering/computational-systems-biology-lab/biomodme.php. Deployed software can be accessed at https://biomodme.ctsi.mcw.edu/. Source code is freely available for download at https://github.com/MCWComputationalBiologyLab/BioModME. Supplementary data are available at Bioinformatics Advances online.
用于构建和模拟复杂生物系统动态计算模型的 BioModME
生物功能和疾病过程的分子机制异常复杂,我们探究和理解其中关系的能力越来越依赖于计算模型的使用。我们开发了 "BioModME",这是一个基于 R 的独立网络应用程序包,提供了一个直观而全面的图形用户界面,帮助研究人员建立、解决、可视化和分析复杂生物系统的计算模型。该应用软件包的一些重要功能包括多区域系统建模、自定义反应速率定律和方程、单位转换、利用实验数据进行模型参数估计,以及以系统生物学 Matkup 语言格式导入和导出模型信息。用户还可以将模型导出为 MATLAB、R 和 Python 语言,将方程导出为 LaTeX 和数学标记语言格式。其他重要功能还包括在线模型开发平台、多模态可视化工具以及微分代数方程和优化的高效数值求解器。 包括文档和教程在内的所有相关软件信息可在 https://mcw.marquette.edu/biomedical-engineering/computational-systems-biology-lab/biomodme.php 上找到。已部署的软件可通过 https://biomodme.ctsi.mcw.edu/ 访问。源代码可在 https://github.com/MCWComputationalBiologyLab/BioModME 免费下载。 补充数据可在 Bioinformatics Advances 在线查阅。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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