. . "2591;2609" . "3"^^ . "Stability of nucleic acid base pairs in organic solvents: Molecular dynamics, molecular dynamics/quenching, and correlated ab initio study"@en . "ab initio calculation; organic solvent; nucleobases; H-bonding; stacking"@en . . "Povrch potenci\u00E1ln\u00ED energie p\u00E1r\u016F nukleov\u00FDch kyselin v p\u0159\u00EDtomnsoti organick\u00FDch ropzpou\u0161t\u011Bdel \u2013 molekulov\u00E1 dynamika, quenching a p\u0159esn\u00E9 ab initio v\u00FDpo\u010Dty"@cs . . . "Stability of nucleic acid base pairs in organic solvents: Molecular dynamics, molecular dynamics/quenching, and correlated ab initio study" . . "The dynamic structure and potential energy surface of adenine thymine and guanine cytosine base pairs and their methylated analogues interacting with small number of organic solvents (methanol, dimethylsulfoxide and chloroform) were investigated by various theoretical approaches starting from the simple empirical methods to accurate ab initio quantum chemical calculations. All calculations confirmed previous experimental and theoretical results from the bulk solvents showing that whereas in chloroform the base pairs create hydrogen-bonded structures, in methanol, stacked structures are preferred."@en . . "Povrch potenci\u00E1ln\u00ED energie p\u00E1r\u016F nukleov\u00FDch kyselin v p\u0159\u00EDtomnsoti organick\u00FDch ropzpou\u0161t\u011Bdel \u2013 molekulov\u00E1 dynamika, quenching a p\u0159esn\u00E9 ab initio v\u00FDpo\u010Dty"@cs . . "Kabel\u00E1\u010D, Martin" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "Hobza, Pavel" . . "Stability of nucleic acid base pairs in organic solvents: Molecular dynamics, molecular dynamics/quenching, and correlated ab initio study"@en . . . . . . "P(GA203/05/0009), P(GD203/05/H001), P(KJB400550518), P(LC512), Z(AV0Z40550506)" . . . "451971" . "1520-6106" . "Za pou\u017Eit\u00ED empirck\u00FDch i ab initio metod jsme studovali povrchy potenci\u00E1ln\u00ED energie a dynamickou strukturu nemethylovan\u00FDch i methylovan\u00FDch p\u00E1r\u016F b\u00E1z\u00ED nukleov\u00FDch kyselin v p\u0159\u00EDtomnosti molekul organick\u00FDch rozpou\u0161t\u011Bdel \u2013 methanolu, dimethylsulfoxidu a chloroformu. Podobn\u011B jako v roztoku se ukazuje, \u017Ee v p\u0159\u00EDtomnosti methanolu jsou preferov\u00E1ny patrov\u00E9 interakce mezi b\u00E1zemi, zat\u00EDmco v nepol\u00E1rn\u00EDm chloroformu jsou preferov\u00E1ny plan\u00E1rn\u00ED vod\u00EDkov\u011B v\u00E1zan\u00E9 komplexy p\u00E1ru b\u00E1z\u00ED."@cs . . . "111" . "RIV/61388963:_____/07:00090320" . "[D189383EBA25]" . . "RIV/61388963:_____/07:00090320!RIV08-AV0-61388963" . . . "Journal of Physical Chemistry B" . . "The dynamic structure and potential energy surface of adenine thymine and guanine cytosine base pairs and their methylated analogues interacting with small number of organic solvents (methanol, dimethylsulfoxide and chloroform) were investigated by various theoretical approaches starting from the simple empirical methods to accurate ab initio quantum chemical calculations. All calculations confirmed previous experimental and theoretical results from the bulk solvents showing that whereas in chloroform the base pairs create hydrogen-bonded structures, in methanol, stacked structures are preferred." . . . "3"^^ . "19"^^ . "Stability of nucleic acid base pairs in organic solvents: Molecular dynamics, molecular dynamics/quenching, and correlated ab initio study" . "10" . "Zendlov\u00E1, Lucie" .