On the parameterization of rigid base and basepair models of DNA from molecular dynamics simulations

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F09%3A00334367" target="_blank" >RIV/61388963:_____/09:00334367 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

On the parameterization of rigid base and basepair models of DNA from molecular dynamics simulations

Original language description

A method is proposed to extract sequence-dependent parameters for rigid base and basepair models of DNA from atomistic molecular dynamics. The practicability of the approach is verified by estimating a complete parameter set for a palindromic oligomer. We test the assumptions of rigidity of the bases and basepairs and the locality of the quadratic internal energy. The results show that these assumptions hold rather well for the base model but not for the basepair model.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/LC512" target="_blank" >LC512: Center for biomolecules and complex molecular systems</a><br>

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Volume of the periodical

11

Issue of the periodical within the volume

45

Country of publishing house

GB - UNITED KINGDOM

Number of pages

24

Pages from-to

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UT code for WoS article

000271907200004

EID of the result in the Scopus database

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