Mesoscope: A Web-based Tool for Mesoscale Data Integration and Curation.
Mesoscope: A Web-based Tool for Mesoscale Data Integration and Curation.
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DOI：
10.2312/molva.20201098
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发表时间：
2020-05-01
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影响因子：
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通讯作者：
Goodsell, D S
中科院分区：
文献类型：
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作者：
Autin, L;Maritan, M;Goodsell, D S
人们对生物介观尺度（分子结构纳米尺度和细胞生物学微米尺度之间的中间尺度）的 3D 模型越来越感兴趣。然而，目前很难收集、整理和集成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 Messcope (messcope.scripps.edu/beta)，这是一种基于 Web 的数据集成和管理工具。 Messcope 允许用户从分子列表（例如来自蛋白质组的数据）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，最终生成一个便携式输出文件，供 CellPACK 和其他建模工具使用，用于生成生物介观尺度的 3D 模型。鉴于介尺度模型的高度复杂性和可用数据源的异质性，该工具的可用性已被证明在多个探索性应用中至关重要。
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.