"The research and educational center will focus on theoretical, computational, and experimental study of the structure, energetics, dynamics, and reactivity of molecular clusters, molecular sieves, DNA, and proteins in the gas and liquid phases.The proposed project will profit from the interdisciplinary approach to the topic and from a close collaboration between theoreticians and experimentalists within the center.A broad set of computational techniques including quantum chemical, classical and quantum molecular dynamics, and Monte Carlo simulations together with flourescence and femtosecond pump-probe spectroscopies will be employed.The project will have a significant practical output in the realm of molecular sciences, biotechnologies, medicine, catalysis, and environmental sciences."@en . . "223"^^ . " Monte Carlo" . "http://www.isvav.cz/projectDetail.do?rowId=LN00A032"^^ . . . "molecular clusters" . . "Zam\u011B\u0159en\u00ED v\u00FDzkumn\u00E9ho a \u0161kol\u00EDc\u00EDho centra bude na teoretick\u00E9, v\u00FDpo\u010Detn\u00ED a experiment\u00E1ln\u00ED studium struktury, energetiky, dynamiky a reaktivity molekulov\u00FDch klastr\u016F, molekulov\u00FDch s\u00EDt\u00ED, DNA a protein\u016F jak v plynn\u00E9 tak v kapaln\u00E9 f\u00E1zi.V\u00FDhodou navrhovan\u00E9ho projektu je interdisciplin\u00E1rn\u00ED p\u0159\u00EDstup a \u00FAzk\u00E1 spolupr\u00E1ce teoretik\u016F a experiment\u00E1tor\u016F v r\u00E1mci centra.Ke studiu bude pou\u017Eit \u0161irok\u00FD soubor v\u00FDpo\u010Detn\u00EDch techik, zahrnuj\u00EDc\u00EDch kvantov\u011B chemick\u00E9 v\u00FDpo\u010Dty, simulace klasick\u00E9 a kvantov\u00E9 molekulov\u00E9 dynamiky a metodu Monte Carlo, jako\u017E I flourescen\u010Dn\u00ED a femtosekundovou spektroskopii.\u0158e\u0161en\u00ED projektu bude m\u00EDt v\u00FDznamn\u00FD dopad na molekulov\u00E9 v\u011Bdy, biotechnologie, l\u00E9ka\u0159stv\u00ED, katal\u00FDzu a ochranu \u017Eivotn\u00EDho prost\u0159ed\u00ED." . . " molecular dynamics" . "Structure and dynamics of complex molecular systems and biomolecules"@en . "2008-05-28+02:00"^^ . . . . . " quantum chemistry" . . . "Struktura a dynamika komplexn\u00EDch molekulov\u00FDch syst\u00E9m\u016F a biomolekul" . " DNA" . " fluorescence spectroscopy" . "Top results were obtained in computational and experimental studies of the structure and dynamics of complex molecular systems: in particular biomolecules in the gas phase and their hydration, reactivity of metals in molecular sieves and heterogenous che"@en . . " molecular sieves" . . . "molecular clusters, biomolecules, DNA, proteins, molecular sieves, quantum chemistry, molecular dynamics, Monte Carlo, fluorescence spectroscopy, femtosecond spectroscopy"@en . "0"^^ . "Centrum dos\u00E1hlo \u0161pi\u010Dkov\u00FDch v\u00FDsledk\u016F ve v\u00FDpo\u010Detn\u00EDm a experiment\u00E1ln\u00EDm studiu struktury a dynamiky komplexn\u00EDch molekulov\u00FDch syst\u00E9m\u016F: p\u0159edev\u0161\u00EDm biomolekul v plynn\u00E9 f\u00E1zi a jejich hydratace, reaktivity kov\u016F v molekulov\u00FDch s\u00EDtech, heterogenn\u00ED chemie vodn\u00FDch aer"@cs . . " biomolecules" . "3"^^ . "1"^^ . . "LN00A032" . . . . " proteins" . . "223"^^ .