On the Role of London Dispersion Forces in Biomolecular Structure Determination

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F11%3A00367999" target="_blank" >RIV/61388963:_____/11:00367999 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jp202878d" target="_blank" >http://dx.doi.org/10.1021/jp202878d</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp202878d" target="_blank" >10.1021/jp202878d</a>

Result language
angličtina
Original language name
On the Role of London Dispersion Forces in Biomolecular Structure Determination
Original language description
A DNA dodecamer and the methyladenine...methylthymine complex in aqueous environment have been studied by means of molecular dynamics simulation, with a modified force field accounting for the hypothetical absence of London dispersion forces. While the hydrophobic effect of the solvent accounts for the sufficient stabilization of the complex, the appearance of the native biomolecular conformation is attributed to the London dispersion forces. Thus, the London dispersion seems to provide the native structure of a biomolecular complex with the largest additional stabilization, preferring it among several possible aggregated structures. The observations are affected by the construction of the modified force field, and this effect is discussed thoroughly as well as the description of nonbonded interactions with the current biomolecular force fields.
Czech name
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Czech description
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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
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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