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dc.contributor.authorBlanco, Pablo M.
dc.contributor.authorVia, Mireia
dc.contributor.authorGarcés, Josep Lluís
dc.contributor.authorMadurga, Sergio
dc.contributor.authorMas i Pujadas, Francesc
dc.description.abstractThe high concentration of macromolecules (i.e., macromolecular crowding) in cellular environments leads to large quantitative effects on the dynamic and equilibrium biological properties. These effects have been experimentally studied using inert macromolecules to mimic a realistic cellular medium. In this paper, two different experimental in vitro systems of diffusing proteins which use dextran macromolecules as obstacles are computationally analyzed. A new model for dextran macromolecules based on effective radii accounting for macromolecular compression induced by crowding is proposed. The obtained results for the diffusion coefficient and the anomalous diffusion exponent exhibit good qualitative and generally good quantitative agreement with experiments. Volume fraction and hydrodynamic interactions are found to be crucial to describe the diffusion coefficient decrease in crowded media. However, no significant influence of the hydrodynamic interactions in the anomalous diffusion exponent is found.ca_ES
dc.description.sponsorshipWe acknowledge the financial support from: the Spanish Ministry of Science and Innovation (project CTM2012-39183 and CTM2016-78798-C2-1-P) and Generalitat de Catalunya (Grants 2014SGR1017, 2014SGR1132 and XrQTC). Sergio Madurga and Francesc Mas acknowledge the funding of the project 8SEWP-HORIZON 2020 (692146).ca_ES
dc.relation.isformatofReproducció del document publicat a:
dc.relation.ispartofEntropy, 2017, vol. 19, núm. 3, article 105ca_ES
dc.rightscc-by (c) Blanco, Pablo M. et al., 2017ca_ES
dc.subjectMacromolecular crowdingca_ES
dc.subjectBrownian dynamicsca_ES
dc.subjectDextran modellingca_ES
dc.subjectMacromolecule diffusionca_ES
dc.subjectHydrodynamic interactionsca_ES
dc.titleBrownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstaclesca_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/EC/H2020/692146/Materials Networkingca_ES

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cc-by (c) Blanco, Pablo M. et al., 2017
Except where otherwise noted, this item's license is described as cc-by (c) Blanco, Pablo M. et al., 2017