dc.contributor.author
Dalton, Benjamin A.
dc.contributor.author
Netz, Roland R.
dc.date.accessioned
2024-12-03T14:30:23Z
dc.date.available
2024-12-03T14:30:23Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/45829
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-45542
dc.description.abstract
Protein folding is an intrinsically multitimescale problem. While it is accepted that non-Markovian effects are present on short timescales, it is unclear whether memory-dependent friction influences long-timescale protein folding reaction kinetics. We combine friction memory-kernel extraction techniques with recently published extensive all-atom simulations of the 𝛼3D protein under neutral and reduced pH conditions, and we show that the pH reduction modifies the friction acting on the folding protein by dramatically decreasing the friction memory decay time. This switches 𝛼3D folding reaction kinetics from the pronounced non-Markovian regime, where memory significantly accelerates folding, to the Markovian regime, where memory does not influence the folding time. We explore salt-bridge interactions, which are eliminated under pH reduction, as a key microscopic origin of non-Markovian friction in 𝛼3D.
en
dc.format.extent
6 Seiten
dc.rights.uri
https://creativecommons.org/licenses/by/4.0/
dc.subject
Internal friction
en
dc.subject
Kinetic theory
en
dc.subject
Protein folding
en
dc.subject
Non-Markovian processes
en
dc.subject.ddc
500 Naturwissenschaften und Mathematik::530 Physik::530 Physik
dc.title
pH Modulates Friction Memory Effects in Protein Folding
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.articlenumber
188401
dcterms.bibliographicCitation.doi
10.1103/PhysRevLett.133.188401
dcterms.bibliographicCitation.journaltitle
Physical Review Letters
dcterms.bibliographicCitation.number
18
dcterms.bibliographicCitation.volume
133
dcterms.bibliographicCitation.url
https://doi.org/10.1103/PhysRevLett.133.188401
refubium.affiliation
Physik
refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access
dcterms.isPartOf.eissn
1079-7114
refubium.resourceType.provider
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