Structural Biology in the Clouds: The WeNMR-EOSC Ecosystem
Rodrigo V. Honorato, Panagiotis I. Koukos, Brian Jiménez‐García, A. Tsaregorodtsev, M. Verlato, Andrea Giachetti, Antonio Rosato, Alexandre M. J. J. Bonvin
Florence Research (University of Florence) (2021)
10.3389/fmolb.2021.729513
Abstract
Structural biology aims at characterizing the structural and dynamic properties of biological macromolecules at atomic details. Gaining insight into three dimensional structures of biomolecules and their interactions is critical for understanding the vast majority of cellular processes, with direct applications in health and food sciences. Since 2010, the WeNMR project (www.wenmr.eu) has implemented numerous web-based services to facilitate the use of advanced computational tools by researchers in the field, using the high throughput computing infrastructure provided by EGI. These services have been further developed in subsequent initiatives under H2020 projects and are now operating as Thematic Services in the European Open Science Cloud portal (www.eosc-portal.eu), sending >12 millions of jobs and using around 4,000 CPU-years per year. Here we review 10 years of successful e-infrastructure solutions serving a large worldwide community of over 23,000 users to date, providing them with user-friendly, web-based solutions that run complex workflows in structural biology. The current set of active WeNMR portals are described, together with the complex backend machinery that allows distributed computing resources to be harvested efficiently.
Topics
Field: Biochemistry, Genetics and Molecular Biology · Subfield: Molecular Biology
Keywords
Workflow,Cloud computing,Computer science,Data science,Web service,Thematic map,World Wide Web,Field (mathematics),Set (abstract data type),Resource (disambiguation)
UN Sustainable Development Goals
- Industry, innovation and infrastructure (0.52)
All Available Versions
- PDF Landing page — Florence Research (University of Florence) submittedVersion other-oa
- Landing page — PUBLISSO (German National Library of Medicine) submittedVersion cc-by
Citations by Year
| 2026 | 2025 | 2024 | 2023 | 2022 | 2021 | 2012 |
|---|---|---|---|---|---|---|
| 120 | 180 | 225 | 172 | 114 | 12 | 1 |
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