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Description
| - The unwinding Gibbs energy (or duplex dissociation energy) is an important measure of the thermodynamic stability of DNA oligomers. This value can be measured experimentally or predicted by empirical models parametrised on experimental data. Our previously developed model based on accurate DFT-D calculations of interaction energies between nucleic acid bases corrected for solvation contribution. This work was successfully extended to cover variable lengths of oligomers. This model was further applied to oligomers containing inosine, an unnatural base. The results, however, are not satisfactory and it is clear that the model does not take into account all variables contributing to DNA stability.
- The unwinding Gibbs energy (or duplex dissociation energy) is an important measure of the thermodynamic stability of DNA oligomers. This value can be measured experimentally or predicted by empirical models parametrised on experimental data. Our previously developed model based on accurate DFT-D calculations of interaction energies between nucleic acid bases corrected for solvation contribution. This work was successfully extended to cover variable lengths of oligomers. This model was further applied to oligomers containing inosine, an unnatural base. The results, however, are not satisfactory and it is clear that the model does not take into account all variables contributing to DNA stability. (en)
- Gibbsova energie disociace dvojšroubovice DNA je důležité měřítko stability oligomerů DNA. Tato veličina může být měřena experimntálně, k jejímu odhadu se používají i empirické modely parametrizované na experimentální data. V předchozí práci jme vyvynuli nový model založený na přesných DFT-D výpočtech intrakčních energií mezi bázemi DNA, zahrnující i opravu o solvatační volnou energii. Tato práce rozšiřuje tento model na oligomery různé délky. Model byl také aplikován na sekvence obsahující nepřírodní bázi inosin. Výsledky pro tyto sekvence nejsou uspokojivé a ukazuje se, že navržený model nezahrnuje příspěvky nutné k popisu takovýchto struktur. (cs)
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Title
| - Correlation between the thermodynamic stability of DNA duplexes and the interaction and solvation energies of DNA building blocks
- Correlation between the thermodynamic stability of DNA duplexes and the interaction and solvation energies of DNA building blocks (en)
- Korelace mezi termodynamickou stabilitou dvojšroubovice DNA a interakčními a solvatačními energiemi stavebních bloků DNA (cs)
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skos:prefLabel
| - Correlation between the thermodynamic stability of DNA duplexes and the interaction and solvation energies of DNA building blocks
- Correlation between the thermodynamic stability of DNA duplexes and the interaction and solvation energies of DNA building blocks (en)
- Korelace mezi termodynamickou stabilitou dvojšroubovice DNA a interakčními a solvatačními energiemi stavebních bloků DNA (cs)
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skos:notation
| - RIV/61388963:_____/08:00310559!RIV09-AV0-61388963
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA203/05/0009), P(GD203/05/H001), P(LC512), Z(AV0Z40550506)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388963:_____/08:00310559
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - DNA duplex; interaction energy; stability (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Collection of Czechoslovak Chemical Communications
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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