Mesoscope: AWeb-based Tool for Mesoscale Data Integration and Curation

L. Autin, M. Maritan, B. A. Barbaro, A. Gardner, A. J. Olson, M. Sanner, D. S. Goodsell

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Scopus citations

Abstract

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.

Original languageEnglish (US)
Title of host publicationMolVA 2020 - Workshop on Molecular Graphics and Visual Analysis of Molecular Data
EditorsJan Byska, Jan Byska, Michael Krone, Bjorn Sommer
PublisherThe Eurographics Association
Pages23-31
Number of pages9
ISBN (Electronic)9783038681144
DOIs
StatePublished - 2020
Event2020 Workshop on Molecular Graphics and Visual Analysis of Molecular Data, MolVA 2020 - Norrkoping, Sweden
Duration: May 25 2020 → …

Publication series

NameMolVA 2020 - Workshop on Molecular Graphics and Visual Analysis of Molecular Data

Conference

Conference2020 Workshop on Molecular Graphics and Visual Analysis of Molecular Data, MolVA 2020
Country/TerritorySweden
CityNorrkoping
Period5/25/20 → …

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Computer Graphics and Computer-Aided Design
  • Materials Chemistry

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