"Structure and Properties of Modified Components of Nucleic Acids"@en . " molecular modeling" . . "11"^^ . . . . " base-pairing" . " modified nucleosides" . "2014-03-31+02:00"^^ . "NMR spectroscopy" . "2013-02-01+01:00"^^ . . . . "0"^^ . . . . . "NMR spectroscopy, NMR crystallography, calculation of NMR parameters, molecular modeling, modified nucleosides, tautomerism, base-pairing, conformation"@en . "0"^^ . "http://www.isvav.cz/projectDetail.do?rowId=GA13-24880S"^^ . . "1"^^ . . "Struktura a vlastnosti modifikovan\u00FDch slo\u017Eek nukleov\u00FDch kyselin" . "Nuclear magnetic resonance (NMR) is one of the most frequently applied, efficient and universal analytical method for providing structural information including intermolecular interactions. In this project, we propose to study the structure and properties of the modified components of nucleic acids (MCNA), i.e. modified nucleobases, nucleosides and nucleotides, by means of experimental NMR (high-resolution liquid NMR and solid-state NMR), calculation of the NMR parameters (nuclear shielding constants and coupling constants both for isolated molecules and for crystals) and molecular modeling. More specifically, we propose to study a) MCNA protonation-deprotonation and tautomerism, b) internal dynamics of nucleic acid bases, and c) the conformation of MCNA sugar part. In experimental NMR work, we would like to lay stress on dynamically growing areas such as NMR crystallography or application of residual dipolar couplings (RDCs) to small molecules."@en . . . . "2015-12-31+01:00"^^ . " calculation of NMR parameters" . " NMR crystallography" . "Nukle\u00E1rn\u00ED magnetick\u00E1 rezonance (NMR) je jednou z nejpou\u017E\u00EDvan\u011Bj\u0161\u00EDch, nejefektivn\u011Bj\u0161\u00EDch a nejuniverz\u00E1ln\u011Bj\u0161\u00EDch analytick\u00FDch metod p\u0159i z\u00EDsk\u00E1v\u00E1n\u00ED strukturn\u00EDch informac\u00ED v\u010Detn\u011B intermolekul\u00E1rn\u00EDch interakc\u00ED. V tomto projektu navrhujeme studovat strukturu a vlastnosti modifikovan\u00FDch slo\u017Eek nukleov\u00FDch kyselin (MCNA), tj. modifikovan\u00FDch b\u00E1z\u00ED nukleov\u00FDch kyselin, nukleosid\u016F a nukleotid\u016F pomoc\u00ED experiment\u00E1ln\u00ED NMR (NMR s vysok\u00FDm rozli\u0161en\u00EDm v kapaln\u00E9 a pevn\u00E9 f\u00E1zi), v\u00FDpo\u010Dtu NMR parametr\u016F (jadern\u00E9 st\u00EDn\u00EDc\u00ED konstanty a interak\u010Dn\u00ED konstanty jak pro izolovan\u00E9 molekuly tak pro krystaly) a molekulov\u00E9ho modelov\u00E1n\u00ED. Konkr\u00E9tn\u011B navrhujeme studovat a) protonaci-deprotonaci a tautomerii MCNA, b) vnit\u0159n\u00ED dynamiku b\u00E1z\u00ED nukleov\u00FDch kyselin, a c) konformaci cukern\u00E9 \u010D\u00E1sti MCNA. V experiment\u00E1ln\u00ED NMR bychom se r\u00E1di zam\u011B\u0159ili na dynamicky se rozv\u00EDjej\u00EDc\u00ED oblasti, jako je NMR krystalografie nebo aplikace zbytkov\u00FDch dipol\u00E1rn\u00EDch kaplink\u016F (RDC) pro mal\u00E9 molekuly." . " tautomerism" . . . "GA13-24880S" . "2015-04-23+02:00"^^ . . "11"^^ .