Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/162518
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Andrio, Pau | - |
dc.contributor.author | Hospital Gasch, Adam | - |
dc.contributor.author | Conejero, Javier | - |
dc.contributor.author | Jordá, Luis | - |
dc.contributor.author | Del Pino, Marc | - |
dc.contributor.author | Codo, Laia | - |
dc.contributor.author | Soiland-Reyes, Stian | - |
dc.contributor.author | Goble, Carole | - |
dc.contributor.author | Lezzi, Daniele | - |
dc.contributor.author | Badia, Rosa M. | - |
dc.contributor.author | Orozco López, Modesto | - |
dc.contributor.author | Gelpí Buchaca, Josep Lluís | - |
dc.date.accessioned | 2020-05-26T20:47:32Z | - |
dc.date.available | 2020-05-26T20:47:32Z | - |
dc.date.issued | 2019-09-10 | - |
dc.identifier.issn | 2052-4463 | - |
dc.identifier.uri | http://hdl.handle.net/2445/162518 | - |
dc.description.abstract | In the recent years, the improvement of software and hardware performance has made biomolecular simulations a mature tool for the study of biological processes. Simulation length and the size and complexity of the analyzed systems make simulations both complementary and compatible with other bioinformatics disciplines. However, the characteristics of the software packages used for simulation have prevented the adoption of the technologies accepted in other bioinformatics fields like automated deployment systems, workflow orchestration, or the use of software containers. We present here a comprehensive exercise to bring biomolecular simulations to the "bioinformatics way of working". The exercise has led to the development of the BioExcel Building Blocks (BioBB) library. BioBB's are built as Python wrappers to provide an interoperable architecture. BioBB's have been integrated in a chain of usual software management tools to generate data ontologies, documentation, installation packages, software containers and ways of integration with workflow managers, that make them usable in most computational environments. | - |
dc.format.extent | 8 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Springer Nature | - |
dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.1038/s41597-019-0177-4 | - |
dc.relation.ispartof | Scientific Data, 2019, vol. 6, p. 169 | - |
dc.relation.uri | https://doi.org/10.1038/s41597-019-0177-4 | - |
dc.rights | cc-by (c) Andrio, Pau et al., 2019 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es | - |
dc.source | Articles publicats en revistes (Bioquímica i Biomedicina Molecular) | - |
dc.subject.classification | Biomolècules | - |
dc.subject.classification | Mètodes de simulació | - |
dc.subject.classification | Ontologies (Informàtica) | - |
dc.subject.other | Biomolecules | - |
dc.subject.other | Simulation methods | - |
dc.subject.other | Ontologies (Information retrieval) | - |
dc.title | BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows. | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 693549 | - |
dc.date.updated | 2020-05-26T20:47:32Z | - |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/823830/EU//BioExcel-2 | - |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/676559/EU//ELIXIR-EXCELERATE | - |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/675728/EU//BioExcel | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
dc.identifier.pmid | 31506435 | - |
Appears in Collections: | Articles publicats en revistes (Bioquímica i Biomedicina Molecular) |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
693549.pdf | 1.52 MB | Adobe PDF | View/Open |
This item is licensed under a
Creative Commons License