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

Mikita M Misiura, Alexander M Berezhkovskii, Sergey M Bezrukov, Anatoly B Kolomeisky

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In one paragraph

Article in The Journal of chemical physics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed

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1 · What the graph read from it

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2 · The registry

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4 · The record

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5 · Who and what money

Authors and funding

4 authors.

Mikita M MisiuraDepartment of Chemistry and Center for Theoretical Biological Physics, Rice University, Houston, Texas 77005, USA.

Alexander M BerezhkovskiiMathematical and Statistical Computing Laboratory, Office of Intramural Research, Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892, USA.ORCID 0000000205640408

Sergey M BezrukovSection on Molecular Transport, Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, Maryland 20892, USA.ORCID 0000000282098050

Anatoly B KolomeiskyDepartment of Chemistry and Center for Theoretical Biological Physics, Rice University, Houston, Texas 77005, USA.ORCID 000000019089667X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Trapping 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.

Indexed as

Catalytic DomainCatalysisEnzymesMolecular Dynamics SimulationVirusesEnzymes

Identifiers

PMID34773956

DOI10.1063/5.0069917

PMCPMC8730370

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.