• español
  • English
  • français
  • Deutsch
  • português (Brasil)
  • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Navegar

    Todo o repositórioComunidadesPor data do documentoAutoresAssuntosTítulos

    Minha conta

    Entrar

    Estatística

    Ver as estatísticas de uso

    Compartir

    Ver item 
    •   Página inicial
    • PRODUÇÃO CIENTÍFICA
    • Departamentos
    • Dpto. Informática (Arquitectura y Tecnología de Computadores, Ciencias de la Computación e Inteligencia ...)
    • DEP41 - Artículos de revista
    • Ver item
    •   Página inicial
    • PRODUÇÃO CIENTÍFICA
    • Departamentos
    • Dpto. Informática (Arquitectura y Tecnología de Computadores, Ciencias de la Computación e Inteligencia ...)
    • DEP41 - Artículos de revista
    • Ver item
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano

    Exportar

    RISMendeleyRefworksZotero
    • edm
    • marc
    • xoai
    • qdc
    • ore
    • ese
    • dim
    • uketd_dc
    • oai_dc
    • etdms
    • rdf
    • mods
    • mets
    • didl
    • premis

    Citas

    Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/65804

    Título
    Reduction of chemical reaction networks through delay distributions
    Autor
    Barrio Solórzano, ManuelAutoridad UVA Orcid
    Leier, André
    Márquez Lago, Tatiana T.
    Año del Documento
    2013
    Editorial
    AIP Publishing
    Documento Fuente
    The Journal of Chemical Physics, Volume 138, Issue 10
    Resumo
    Accurate modelling and simulation of dynamic cellular events require two main ingredients: an adequate description of key chemical reactions and simulation of such chemical events in reasonable time spans. Quite logically, posing the right model is a crucial step for any endeavour in Computational Biology. However, more often than not, it is the associated computational costs which actually limit our capabilities of representing complex cellular behaviour. In this paper, we propose a methodology aimed at representing chains of chemical reactions by much simpler, reduced models. The abridgement is achieved by generation of model-specific delay distribution functions, consecutively fed to a delay stochastic simulation algorithm. We show how such delay distributions can be analytically described whenever the system is solely composed of consecutive first-order reactions, with or without additional “backward” bypass reactions, yielding an exact reduction. For models including other types of monomolecular reactions (constitutive synthesis, degradation, or “forward” bypass reactions), we discuss why one must adopt a numerical approach for its accurate stochastic representation, and propose two alternatives for this. In these cases, the accuracy depends on the respective numerical sample size. Our model reduction methodology yields significantly lower computational costs while retaining accuracy. Quite naturally, computational costs increase alongside network size and separation of time scales. Thus, we expect our model reduction methodologies to significantly decrease computational costs in these instances. We anticipate the use of delays in model reduction will greatly alleviate some of the current restrictions in simulating large sets of chemical reactions, largely applicable in pharmaceutical and biological research
    ISSN
    0021-9606
    Revisión por pares
    SI
    DOI
    10.1063/1.4793982
    Version del Editor
    https://pubs.aip.org/aip/jcp/article/138/10/104114/192894/Reduction-of-chemical-reaction-networks-through
    Idioma
    spa
    URI
    https://uvadoc.uva.es/handle/10324/65804
    Tipo de versión
    info:eu-repo/semantics/publishedVersion
    Derechos
    openAccess
    Aparece en las colecciones
    • DEP41 - Artículos de revista [109]
    Mostrar registro completo
    Arquivos deste item
    Nombre:
    JCP13 printed version.pdf
    Tamaño:
    967.6Kb
    Formato:
    Adobe PDF
    Descripción:
    Artículo publicado
    Thumbnail
    Visualizar/Abrir

    Universidad de Valladolid

    Powered by MIT's. DSpace software, Version 5.10