Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00474980" target="_blank" >RIV/61388963:_____/17:00474980 - isvavai.cz</a>
Alternative codes found
RIV/60461373:22310/17:43914587
Result on the web
<a href="https://academic.oup.com/nar/article-lookup/doi/10.1093/nar/gkw1253" target="_blank" >https://academic.oup.com/nar/article-lookup/doi/10.1093/nar/gkw1253</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1093/nar/gkw1253" target="_blank" >10.1093/nar/gkw1253</a>
Alternative languages
Result language
angličtina
Original language name
Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics
Original language description
Oxidatively-generated interstrand cross-links rank among the most deleterious DNA lesions. They originate from abasic sites, whose aldehyde group can form a covalent adduct after condensation with the exocyclic amino group of purines, sometimes with remarkably high yields. We use explicit solvent molecular dynamics simulations to unravel the structures and mechanical properties of two DNA sequences containing an interstrand cross-link. Our simulations palliate the absence of experimental structural and stiffness information for such DNA lesions and provide an unprecedented insight into the DNA embedding of lesions that represent a major challenge for DNA replication, transcription and gene regulation by preventing strand separation. Our results based on quantum chemical calculations also suggest that the embedding of the ICL within the duplex can tune the reaction profile, and hence can be responsible for the high difference in yields of formation.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10610 - Biophysics
Result continuities
Project
<a href="/en/project/GA14-21893S" target="_blank" >GA14-21893S: Nanomechanics of RNA and DNA structural motifs</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nucleic Acids Research
ISSN
0305-1048
e-ISSN
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Volume of the periodical
45
Issue of the periodical within the volume
4
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
2188-2195
UT code for WoS article
000396055400058
EID of the result in the Scopus database
2-s2.0-85030617442