Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Bottom-Up Coarse-Grained Modeling of DNA
Show others and affiliations
Number of Authors: 62021 (English)In: Frontiers in Molecular Biosciences, E-ISSN 2296-889X, Vol. 8, article id 645527Article, review/survey (Refereed) Published
Abstract [en]

Recent advances in methodology enable effective coarse-grained modeling of deoxyribonucleic acid (DNA) based on underlying atomistic force field simulations. The so-called bottom-up coarse-graining practice separates fast and slow dynamic processes in molecular systems by averaging out fast degrees of freedom represented by the underlying fine-grained model. The resulting effective potential of interaction includes the contribution from fast degrees of freedom effectively in the form of potential of mean force. The pair-wise additive potential is usually adopted to construct the coarse-grained Hamiltonian for its efficiency in a computer simulation. In this review, we present a few well-developed bottom-up coarse-graining methods, discussing their application in modeling DNA properties such as DNA flexibility (persistence length), conformation, melting, and DNA condensation.

Place, publisher, year, edition, pages
2021. Vol. 8, article id 645527
Keywords [en]
DNA condensation, coarse-grained model, molecular renormalization group, inverse Monte Carlo, multi-scale coarse-graining, force matching, relative entropy, persistence length
National Category
Biological Sciences
Identifiers
URN: urn:nbn:se:su:diva-193147DOI: 10.3389/fmolb.2021.645527ISI: 000635135700001PubMedID: 33816559OAI: oai:DiVA.org:su-193147DiVA, id: diva2:1554071
Available from: 2021-05-11 Created: 2021-05-11 Last updated: 2022-02-25Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textPubMed

Authority records

Sun, TiedongLyubartsev, Alexander P.

Search in DiVA

By author/editor
Sun, TiedongLyubartsev, Alexander P.
By organisation
Department of Materials and Environmental Chemistry (MMK)
In the same journal
Frontiers in Molecular Biosciences
Biological Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 31 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf