Surface-facilitated trapping by active sites: From catalysts to viruses

dc.citation.articleNumber184106en_US
dc.citation.journalTitleThe Journal of Chemical Physicsen_US
dc.citation.volumeNumber155en_US
dc.contributor.authorMisiura, Mikita M.en_US
dc.contributor.authorBerezhkovskii, Alexander M.en_US
dc.contributor.authorBezrukov, Sergey M.en_US
dc.contributor.authorKolomeisky, Anatoly B.en_US
dc.contributor.orgCenter for Theoretical Biological Physicen_US
dc.date.accessioned2021-12-01T18:30:37Zen_US
dc.date.available2021-12-01T18:30:37Zen_US
dc.date.issued2021en_US
dc.description.abstractTrapping by active sites on surfaces plays important roles in various chemical and biological processes, including catalysis, enzymatic reactions, and viral entry into host cells. However, the mechanisms of these processes remain not well understood, mostly because the existing theoretical descriptions are not fully accounting for the role of the surfaces. Here, we present a theoretical investigation on the dynamics of surface-assisted trapping by specific active sites. In our model, a diffusing particle can occasionally reversibly bind to the surface and diffuse on it before reaching the final target site. An approximate theoretical framework is developed, and its predictions are tested by Brownian dynamics computer simulations. It is found that the surface diffusion can be crucial in mediating trapping by active sites. Our theoretical predictions work reasonably well as long as the area of the active site is much smaller than the overall surface area. Potential applications of our approach are discussed.en_US
dc.identifier.citationMisiura, Mikita M., Berezhkovskii, Alexander M., Bezrukov, Sergey M., et al.. "Surface-facilitated trapping by active sites: From catalysts to viruses." <i>The Journal of Chemical Physics,</i> 155, (2021) AIP Publishing: https://doi.org/10.1063/5.0069917.en_US
dc.identifier.doihttps://doi.org/10.1063/5.0069917en_US
dc.identifier.urihttps://hdl.handle.net/1911/111701en_US
dc.language.isoengen_US
dc.publisherAIP Publishingen_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.titleSurface-facilitated trapping by active sites: From catalysts to virusesen_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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