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Reaction-path statistical mechanics of enzymatic kinetics
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lim, Hyuntae | - |
dc.contributor.author | Jung, YounJoon | - |
dc.date.accessioned | 2022-06-23T04:39:54Z | - |
dc.date.available | 2022-06-23T04:39:54Z | - |
dc.date.created | 2022-05-16 | - |
dc.date.issued | 2022-04 | - |
dc.identifier.citation | Journal of Chemical Physics, Vol.156 No.13, p. 134108 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | https://hdl.handle.net/10371/183706 | - |
dc.description.abstract | We introduce a reaction-path statistical mechanics formalism based on the principle of large deviations to quantify the kinetics of single-molecule enzymatic reaction processes under the Michaelis-Menten mechanism, which exemplifies an out-of-equilibrium process in the living system. Our theoretical approach begins with the principle of equal a priori probabilities and defines the reaction path entropy to construct a new nonequilibrium ensemble as a collection of possible chemical reaction paths. As a result, we evaluate a variety of path-based partition functions and free energies by using the formalism of statistical mechanics. They allow us to calculate the timescales of a given enzymatic reaction, even in the absence of an explicit boundary condition that is necessary for the equilibrium ensemble. We also consider the large deviation theory under a closed-boundary condition of the fixed observation time to quantify the enzyme-substrate unbinding rates. The result demonstrates the presence of a phase-separation-like, bimodal behavior in unbinding events at a finite timescale, and the behavior vanishes as its rate function converges to a single phase in the long-time limit.& nbsp;& nbsp;Published under an exclusive license by AIP Publishing. | - |
dc.language | 영어 | - |
dc.publisher | American Institute of Physics | - |
dc.title | Reaction-path statistical mechanics of enzymatic kinetics | - |
dc.type | Article | - |
dc.identifier.doi | 10.1063/5.0075831 | - |
dc.citation.journaltitle | Journal of Chemical Physics | - |
dc.identifier.wosid | 000788738000007 | - |
dc.identifier.scopusid | 2-s2.0-85127841956 | - |
dc.citation.number | 13 | - |
dc.citation.startpage | 134108 | - |
dc.citation.volume | 156 | - |
dc.description.isOpenAccess | N | - |
dc.contributor.affiliatedAuthor | Jung, YounJoon | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
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