"2011-12-31+01:00"^^ . . "3"^^ . . "RNA; biochemistry; enzymatic catalysis; ribozyme; molekular modelling; quantum chemistry; molecular dynamics"@en . "4415"^^ . "The evolution of living world requires efficient and accurate biochemical catalysts. Although most today's enzymes are proteins, many key reactions are catalyzed by catalytic RNAs -ribozymes. The project is focused on three best crystallographically and biochemically characterized small catalytic RNAs, the hammerhead, hairpin and hepatitis delta virus ribozymes. They catalyze site-specific cleavage of their phosphodiester backbone through a transesterification mechanism. The main aims are comprehensive structural, dynamic and thermodynamic description of the ribozymes, and the ultimate goal is to elucidate their catalytic mechanism, which remains entirely elusive despite years of intense research. To obtain panoramic insight into the RNA catalysis, we will apply state-of-the-art computational approaches, predominantly based on explicit solvent biomolecular simulations combined with recently introduced quantum mechanical/molecular mechanical (QM/MM) methods."@en . . . . "47"^^ . "Structure, dynamics, and reaction mechanism of catalytic RNA"@en . "2008-01-01+01:00"^^ . . . . . "Struktura, dynamika a reak\u010Dn\u00ED mechanismus katalytick\u00E9 RNA"@cs . "47"^^ . . . "Ve v\u00FDvoji \u017Eiv\u00FDch organism\u016F hraj\u00ED velmi d\u016Fle\u017Eitou roli \u00FA\u010Dinn\u00E9 a p\u0159esn\u011B funguj\u00EDc\u00ED katalyz\u00E1tory. A\u010Dkoliv v\u011Bt\u0161ina dne\u0161n\u00EDch enzym\u016F jsou proteiny, mnoho kl\u00ED\u010Dov\u00FDch reakc\u00ED je katalyzov\u00E1no katalytickou RNA \u2013 ribozymy. Tento projekt je zam\u011B\u0159en na studium t\u0159\u00ED krystalograficky a biochemicky nejl\u00E9pe charakterizovan\u00FDch mal\u00FDch katalytick\u00FDch ribozym\u016F - Hammerhead, Hairpin a Hepatitis delta virus. Tyto ribozymy katalyzuj\u00ED \u0161t\u011Bpen\u00ED vlastn\u00ED fosfodiesterov\u00E9 p\u00E1te\u0159e na specifick\u00E9m m\u00EDst\u011B pomoc\u00ED transesterifika\u010Dn\u00EDho mechanismu. Z\u00E1m\u011Brem projektu je komplexn\u00ED popis struktury, dynamiky a termodynamiky ribozym\u016F, hlavn\u00EDm c\u00EDlem je p\u0159isp\u011Bt k objasn\u011Bn\u00ED katalytick\u00E9ho mechanismu, kter\u00FD i p\u0159es intenzivn\u00ED v\u00FDzkum z\u016Fst\u00E1v\u00E1 nevysv\u011Btlen. K z\u00EDsk\u00E1n\u00ED ucelen\u00E9ho pohledu na problematiku RNA katal\u00FDzy pou\u017Eijeme nejmodern\u011Bj\u0161\u00ED po\u010D\u00EDta\u010Dov\u00E9 p\u0159\u00EDstupy, p\u0159ev\u00E1\u017En\u011B zalo\u017Een\u00E9 na biomolekul\u00E1rn\u00EDch simulac\u00EDch v explicitn\u00EDm solventu, kombinovan\u00E9 s nejnov\u011Bj\u0161\u00EDmi kvantov\u011B-mechanick\u00FDmi molekulov\u011B-mechanick\u00FDmi (QM/MM) metodami."@cs . "4415"^^ . "1"^^ . . "0"^^ .