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TopPIC Gateway: A Web Gateway for Top-Down Mass Spectrometry Data Interpretation.
In Kwon Choi1, Eroma Abeysinghe2, Eric Coulter2
1Department of BioHealth Informatics, Indiana University-Purdue University Indianapolis.
PEARC20 : Practice and Experience in Advanced Research Computing 2020 : Catch the Wave : July 27-31, 2020, Portland, or Virtual Conference. Practice and Experience in Advanced Research Computing (Conference) (2020 : Online)
|May 26, 2022
Summary
A new web gateway simplifies proteoform analysis using the TopPIC suite for mass spectrometry. This tool provides accessible high-performance computing for researchers studying intact proteoforms.
Area of Science:
- Proteomics
- Mass Spectrometry
- Bioinformatics
Background:
- Top-down mass spectrometry is crucial for identifying and quantifying intact proteoforms.
- The TopPIC suite is a widely adopted software for interpreting top-down mass spectrometry data.
- Access to high-performance computing resources can be a barrier for many researchers.
Purpose of the Study:
- To present a web-based gateway for the TopPIC suite.
- To enable broader access to computational resources for top-down mass spectrometry data analysis.
- To support proteomics researchers and students with limited computing infrastructure.
Main Methods:
- Developed a web gateway integrating the TopPIC suite (TopFD, TopPIC, TopMG, TopDiff).
- Leveraged heterogeneous computing resources, including Indiana University's high-performance computing clusters and XSEDE's Jetstream Cloud.
- Facilitated data analysis for top-down mass spectral data.
Main Results:
- The gateway provides a user-friendly interface for complex proteomic data analysis.
- It enables the use of distributed and cloud computing resources for TopPIC suite applications.
- Researchers can now perform advanced proteoform analysis without direct supercomputer interaction.
Conclusions:
- The TopPIC suite web gateway democratizes access to powerful computational tools for proteoform analysis.
- It lowers the barrier for researchers and students to conduct sophisticated mass spectrometry data interpretation.
- This resource enhances the capabilities of the proteomics community in studying intact proteoforms.
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