"1"^^ . " molecular dynamics" . . "By theoretical and spectroscopic, scattering and diffraction methods, interactions in the systems of future polymer drugs, polymer engines, enzymes and their complexes and photosensitive semiconductors were clarified. Alternatives are suggested."@en . "2008-12-31+01:00"^^ . " tissue replacement" . . " grug delivery" . . "Matematick\u00E9 modelov\u00E1n\u00ED struktur makromolekul\u00E1rn\u00EDch syst\u00E9m\u016F je \u00FAsp\u011B\u0161n\u011B vyu\u017E\u00EDv\u00E1no jednak k p\u0159edpov\u011Bdi vlastnost\u00ED a chov\u00E1n\u00ED l\u00E1tek, jejich\u017E p\u0159\u00EDprava je obt\u00ED\u017En\u00E1 a vy\u017Eaduje dlouhodob\u00E9 pl\u00E1nov\u00E1n\u00ED, jednak k anal\u00FDze z\u00EDskan\u00FDch l\u00E1tek ji\u017E z\u00EDskan\u00FDch. Metody po\u010D\u00EDta\u010Dov\u00E9ho studia makromolekul\u00E1rn\u00EDch syst\u00E9m\u016F kladou extr\u00E9mn\u00ED n\u00E1roky na v\u00FDpo\u010Detn\u00ED rychlost a velikost opera\u010Dn\u00ED pam\u011Bti. P\u0159edm\u011Btem projektu je aplikace metod molekul\u00E1rn\u00EDho modelov\u00E1n\u00ED a anal\u00FDzy struktur metodami kvantov\u011B chemick\u00FDch v\u00FDpo\u010Dt\u016F, molekul\u00E1rn\u00ED mechaniky a molekul\u00E1rn\u00ED dynamiky na makromolekul\u00E1rn\u00ED syst\u00E9my, a to zejm\u00E9na jejich roz\u0161\u00ED\u0159en\u00ED z jednoduch\u00FDch model\u016F na syst\u00E9my re\u00E1ln\u011B aplikovateln\u00E9 v praxi. Roz\u0161\u00ED\u0159en\u00E9 mo\u017Enosti budou vyu\u017Eity pro efektivn\u00ED v\u00FDvoj a navrhov\u00E1n\u00ED biologicky aktivn\u00EDch makromolekul v oblasti c\u00EDlen\u00E9ho transportu l\u00E9\u010Div, genov\u00E9 terapie a tk\u00E1\u0148ov\u00FDch n\u00E1hrad, biomimetick\u00FDch polymer\u016F schopn\u00FDch konat mechanickou pr\u00E1ci, nanostrukturn\u011B organizovan\u00FDch hybridn\u00EDch polymern\u00EDch s\u00EDt\u00ED a molekul\u00E1rn\u00EDch optoelektronick\u00FDch prvk\u016F." . . . " molecular mechanics" . . "http://www.isvav.cz/projectDetail.do?rowId=1ET400500402"^^ . "51"^^ . . . . "Po\u010D\u00EDta\u010Dov\u00E9 modelov\u00E1n\u00ED chemick\u00FDch struktur pro v\u00FDvoj makromolekul\u00E1rn\u00EDch syst\u00E9m\u016F s nov\u00FDmi biologick\u00FDmi, mechanick\u00FDmi a elektronick\u00FDmi vlastnostmi" . "computer modeling" . "Mathematical modeling of the structure of macromolecular systems is successfully used on one hand in the prediction of properties and behavior of compounds difficult to prepare and requiring long-time planning, on the other in analysis of compounds already obtained. Methods of computer study of macromolecular systems pose extreme demands on computing rates and size of operational memory. The object of the project is application of the methods of quantum chemical molecular modeling and structure analysis by the methods of molecular mechanics and molecular dynamics on macromolecular systems, mainly their extension from simple models to systems applicable in practice. Extended possibilities will be used for effective development and designing of biologically active macromolecules in the field of targeted drug delivery, gene therapy and tissue replacements, biomimetic polymers able to perform work, nanostructurally organized hybrid polymer networks and molecular optoelectronic elements."@en . . . "51"^^ . "computer modeling; simulation of macromolecular systems; quantum chemical calculations; molecular mechanics; molecular dynamics; grug delivery; tissue replacement; optoelectronic elements; nanostructure polymer networks"@en . " simulation of macromolecular systems" . . "2008-02-21+01:00"^^ . "1ET400500402" . . "2004-07-01+02:00"^^ . . "Teoretick\u00FDmi a spektroskopick\u00FDmi, rozptylov\u00FDmi a difrak\u010Dn\u00EDmi metodami byly objasn\u011Bny interakce v syst\u00E9mech mo\u017En\u00FDch polymern\u00EDch l\u00E9\u010Div, polymern\u00EDch stroj\u016F, n\u011Bkter\u00FDch enzym\u016F a jejich komplex\u016F a fotosenzitivn\u00EDch polovodi\u010D\u016F a navr\u017Eeny nov\u00E9 mo\u017Enosti."@cs . . . "0"^^ . . . " quantum chemical calculations" . " optoelectronic elements" . "Computer modelling of chmical structures for the design of macromolecular systems with new biological, mechanical and electronic properties"@en . "0"^^ . . "2009-05-04+02:00"^^ .