中尺度:一个基于Web的中尺度数据集成和处理工具。

L Autin, M Maritan, B A Barbaro, A Gardner, A J Olson, M Sanner, D S Goodsell
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引用次数: 7

摘要

人们对生物中尺度的3D模型越来越感兴趣,生物中尺度是分子结构的纳米尺度和细胞生物学的微米尺度之间的中间尺度。然而,目前很难收集、策划和整合定义此类模型所需的所有数据。为了应对这一挑战,我们开发了Mesoscope(Mesoscope.scripps.edu/beta),这是一种基于网络的数据集成和管理工具。中尺度允许用户从分子列表(如蛋白质组学数据)开始,并使用UniProt和PDB的资源来识别、准备和验证每个分子的适当结构和表示,最终生成CellPACK和其他建模工具使用的便携式输出文件,用于生成生物中尺度的3D模型。鉴于中尺度模型的高度复杂性和可用数据源的异质性,该工具的可用性在几个探索性应用中已被证明是至关重要的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mesoscope: A Web-based Tool for Mesoscale Data Integration and Curation.

Interest is growing for 3D models of the biological mesoscale, the intermediate scale between the nanometer scale of molecular structure and micrometer scale of cellular biology. However, it is currently difficult to gather, curate and integrate all the data required to define such models. To address this challenge we developed Mesoscope (mesoscope.scripps.edu/beta), a web-based data integration and curation tool. Mesoscope allows users to begin with a listing of molecules (such as data from proteomics), and to use resources at UniProt and the PDB to identify, prepare and validate appropriate structures and representations for each molecule, ultimately producing a portable output file used by CellPACK and other modeling tools for generation of 3D models of the biological mesoscale. The availability of this tool has proven essential in several exploratory applications, given the high complexity of mesoscale models and the heterogeneity of the available data sources.

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