"P(GA203/05/0009), P(LC512), Z(AV0Z40550506)" . "On the nature of DNA - duplex stability"@en . . "2983;2989" . "On the nature of DNA - duplex stability" . . . . "2"^^ . "O povaze stability dvoj\u0161roubovice DNA"@cs . "Hobza, Pavel" . "2"^^ . "RIV/61388963:_____/07:00090252!RIV08-AV0-61388963" . "Chemistry - A European Journal" . . . . . "RIV/61388963:_____/07:00090252" . . "Voln\u00E1 energie disociace duplexu DNA, z\u00EDskan\u00E1 experiment\u00E1ln\u011B, byla srovn\u00E1na s p\u00E1rov\u00FDmi interak\u010Dn\u00EDmi energiemi b\u00E1z\u00ED DNA a jejich solvata\u010Dn\u00ED volnou energi\u00ED. Interak\u010Dn\u00ED energie byly po\u010D\u00EDt\u00E1ny ned\u00E1vno vyvinutou metodou RI-DFT-D, solvatace pomoc\u00ED dielektrick\u00E9ho modelu C-PCM. Bylo otestov\u00E1no n\u011Bkolik model\u016F koreluj\u00EDc\u00EDch experiment\u00E1ln\u00ED voln\u00E9 energie disociace duplexu s vypo\u010Dten\u00FDmi energiemi. Model zahrnuj\u00EDc\u00ED v\u0161echny spo\u010Dten\u00E9 p\u0159\u00EDsp\u011Bvky je schopen velice dob\u0159e p\u0159edpov\u00EDdat stabilitu DNA. Rozbor v\u00FDsledk\u016F nav\u00EDc ukazuje relativn\u00ED d\u016Fle\u017Eitost jednotliv\u00FDch p\u0159\u00EDsp\u011Bvk\u016F ke stabilit\u011B struktury DNA a ukazuje z\u00E1sadn\u00ED roli patrov\u00FDch disperzn\u00EDch interakc\u00ED."@cs . . "439401" . "\u0158ez\u00E1\u010D, Jan" . . "7"^^ . "On the nature of DNA - duplex stability" . . "O povaze stability dvoj\u0161roubovice DNA"@cs . "13" . "10" . "[53BE8A4AE206]" . "DE - Spolkov\u00E1 republika N\u011Bmecko" . "Experimental unwinding free energy of 128 DNA octamers was correlated with the sum of interaction energies among DNA bases and their solvation energies. The former energies were determined with the recently developed RI-DFT-D procedure. The solvation energy was determined using a C-PCM continuum solvent at HF level calculations. Various models were adopted to correlate theoretical energies with experimental unwinding free energies. The most advanced model yielded very close correlation. Analysis of the theoretical results has shown the importance of inter- and intramolecular stacking energies, and especially the latter term plays a key role in determining the DNA duplex stabilization." . . . "0947-6539" . "On the nature of DNA - duplex stability"@en . . . "DNA stability; density functional calculations; dispersion interaction"@en . . "Experimental unwinding free energy of 128 DNA octamers was correlated with the sum of interaction energies among DNA bases and their solvation energies. The former energies were determined with the recently developed RI-DFT-D procedure. The solvation energy was determined using a C-PCM continuum solvent at HF level calculations. Various models were adopted to correlate theoretical energies with experimental unwinding free energies. The most advanced model yielded very close correlation. Analysis of the theoretical results has shown the importance of inter- and intramolecular stacking energies, and especially the latter term plays a key role in determining the DNA duplex stabilization."@en . . .