"Radia\u010Dn\u011B indukovan\u00E1 po\u0161kozen\u00ED komplex\u016F DNA s proteiny"@cs . . . . "1"^^ . "0"^^ . "Projekt je zam\u011B\u0159en na teoretick\u00E9 simulace \u00FA\u010Dink\u016F ionizuj\u00EDc\u00EDho z\u00E1\u0159en\u00ED (IZ) na komplexy DNA s proteiny. D\u0159\u00EDve vyvinut\u00FD model pro simulace \u00FA\u010Dinku OH radik\u00E1l\u016F vznikl\u00FDch radiol\u00FDzou prost\u0159ed\u00ED obklopuj\u00EDc\u00EDho studovanou biomolekulu je zalo\u017Een na metod\u011B Monte Carlo (simulace vzniku a dif\u00FAze radik\u00E1l\u016F) a teorii Smoluchowsk\u00E9ho (chemick\u00E9 reakce OH radik\u00E1l\u016F s proteiny, zahrnut\u00ED vlivu ostatn\u00EDch produkt\u016F radiol\u00FDzy tak\u00E9 simulace p\u0159\u00EDm\u00E9ho \u00FA\u010Dinku IZ (excitace a ionizace atom\u016F DNA a protein\u016F). V\u00FDb\u011Br studovan\u00FDch komplex\u016F DNA-protein je ovlivn\u011Bn dosa\u017Eitelnost\u00ED jejich atom\u00E1rn\u00EDch struktur v databank\u00E1ch (PDB, NDB) nebo molekul\u00E1rn\u00EDm modelov\u00E1n\u00EDm (program SYBYL) a p\u0159\u00EDpadn\u011B t\u00E9\u017E experiment\u00E1ln\u011B m\u011B\u0159en\u00FDch v\u00FDt\u011B\u017Ek\u016F radia\u010Dn\u011B indukovan\u00FDch po\u0161kozen\u00ED. Pravd\u011Bpodobnosti reakc\u00ED radik\u00E1l\u016F s DNA a proteiny budou analyzov\u00E1ny s ohledem na strukturu komplex\u016F a charakteristiky IZ s c\u00EDlem ur\u010Dit v\u00FDt\u011B\u017Eky a z\u00E1va\u017Enost biologick\u00FDch po\u0161kozen\u00ED."@cs . . "The project includes theoretical simulation of radiation attack to DNA-protein complexes. Our model allows predicting the effectsof OH radicals produced by radiation in molecules` surroundings. The model is based on Monte Carlo simulation method (origin and radical diffusion) and Smoluchowski theory (radical reactions with DNA). We propose its extension for modelling radical reactions with proteins, the introduction of other radiolytic species and of the direct effect of radiation (ionizations and excitations of DNA and protein). The choice of DNA-protein complexes depends on:i) the availability of their molecular structures in databanks (PDB, NDB), ii) building by molecular modelling (software SYBYL) and iii) the availability of experimental yields of radiation-induced damages. Probabilities of radical reactions with DNA and proteins will be analyzed in terms of molecular structure and radiation parameters with the aim to obtain yields of some types of primary biological damages."@en . . . "1543"^^ . . "9"^^ . "738"^^ . "9"^^ . "Radiation induced damage of DNA - protein complexes"@en . . "0"^^ . . . "Radiation domage; radiolytic attack; DNA-protein complex; molecular structure; theoretical modeling;"@en . .