Double-Helical -> Ladder Structural Transition in the B-DNA is Induced by a Loss of Dispersion Energy

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F08%3A00005767" target="_blank" >RIV/61989592:15310/08:00005767 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/08:00315926
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Double-Helical -> Ladder Structural Transition in the B-DNA is Induced by a Loss of Dispersion Energy
Original language description
The role of the dispersion energy and electrostatic energy on the geometry and stability of the B-DNA helix was investigated. Both molecular dynamics simulations with empirical force field and hybrid quantum mechanical/molecular mechanics molecular dynamics simulations, where the dispersion or electrostatics term is suppressed/increased, on the one hand and an ab initio minimization procedure on the other have shown that the lack of the dispersion term leads to an increase of the vertical separation ofthe bases as well as to a loss of helicity, thus resulting in a ladder-like structure. A decrease of the electrostatic term produces a separation of the DNA strands. The biological consequences of both electrostatic and dispersion forces in DNA are enormous, and without either of them, DNA would become unstable and unable to provide the storage and transfer of genetic information.
Czech name
Strukturní přechod B-DNA z dvojšroubovice do řebříkové struktury je vyvolán ztrátou dispersní energie
Czech description
Úloha dispersní a elektrostatické energie na geometrii a stabilitu šroubovice DNA byla zkoumána empirickými a neempirickými výpočetními metodami.

Type
J<sub>x</sub> - 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
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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