Coarse Graining DNA : Symmetry, Nonlocal Elasticity, and Persistence Length
While the behavior of double-stranded DNA at mesoscopic scales is fairly well understood, less is known about its relation to the rich mechanical properties in the base-pair scale, which is crucial, for instance, to understand DNA-protein interactions and the nucleosome diffusion mechanism. Here, by employing the rigid base-pair model, we connect its microscopic parameters to the persistence length. Combined with all-atom molecular dynamic simulations, our scheme identifies relevant couplings between different degrees of freedom at each coarse-graining step. This allows us to clarify how the scale dependence of the elastic moduli is determined in a systematic way encompassing the role of previously unnoticed off-site couplings between deformations with different parity.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2023 |
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| Erschienen: |
2023 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:130 |
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| Enthalten in: |
Physical review letters - 130(2023), 5 vom: 03. Feb., Seite 058402 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Gutiérrez Fosado, Yair Augusto [VerfasserIn] |
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| Links: |
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| Themen: |
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| Anmerkungen: |
Date Completed 22.02.2023 Date Revised 22.02.2023 published: Print Citation Status MEDLINE |
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| doi: |
10.1103/PhysRevLett.130.058402 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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NLM353069124 |
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| 245 | 1 | 0 | |a Coarse Graining DNA |b Symmetry, Nonlocal Elasticity, and Persistence Length |
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| 500 | |a Citation Status MEDLINE | ||
| 520 | |a While the behavior of double-stranded DNA at mesoscopic scales is fairly well understood, less is known about its relation to the rich mechanical properties in the base-pair scale, which is crucial, for instance, to understand DNA-protein interactions and the nucleosome diffusion mechanism. Here, by employing the rigid base-pair model, we connect its microscopic parameters to the persistence length. Combined with all-atom molecular dynamic simulations, our scheme identifies relevant couplings between different degrees of freedom at each coarse-graining step. This allows us to clarify how the scale dependence of the elastic moduli is determined in a systematic way encompassing the role of previously unnoticed off-site couplings between deformations with different parity | ||
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