"4"^^ . "The stabilization energies of Glu-Lys salt bridges are calculated at the CCSD(T) complete basis set limit to provide a reasonable description of the strength of the ion-pair bond in the gas phase. The effect of the environment (protein with \u03B5 = 4 and water with \u03B5 = 80) on the stabilization energy was introduced via a modification of the quantum chemical DFT energy, for which the COSMO methodology was adopted. The environment affects the stabilization energy of the salt bridge dramatically: The protein reduces the energy to less than one half of the original value, whereas water sometimes changes stabilization to destabilization." . . "The stabilization energy of the Glu-Lys salt bridge in the protein/water environment: Correlated quantum chemical ab initio, DFT and empirical potential studies" . "[AD46C13D84C8]" . "Horinek, D." . "The stabilization energy of the Glu-Lys salt bridge in the protein/water environment: Correlated quantum chemical ab initio, DFT and empirical potential studies"@en . . "6/7" . . "The stabilization energies of Glu-Lys salt bridges are calculated at the CCSD(T) complete basis set limit to provide a reasonable description of the strength of the ion-pair bond in the gas phase. The effect of the environment (protein with \u03B5 = 4 and water with \u03B5 = 80) on the stabilization energy was introduced via a modification of the quantum chemical DFT energy, for which the COSMO methodology was adopted. The environment affects the stabilization energy of the salt bridge dramatically: The protein reduces the energy to less than one half of the original value, whereas water sometimes changes stabilization to destabilization."@en . "396889" . "Berka, Karel" . . . . . "0010-0765" . "Hobza, Pavel" . "73" . . "5"^^ . "16"^^ . "Collection of Czechoslovak Chemical Communications" . "000260536700014" . "P(GA203/06/1727), P(IAA400550510), P(LC512), Z(AV0Z40550506)" . . "Vondr\u00E1\u0161ek, Ji\u0159\u00ED" . . . "The stabilization energy of the Glu-Lys salt bridge in the protein/water environment: Correlated quantum chemical ab initio, DFT and empirical potential studies" . "salt bridges; ion pairs; protein stabilization; interaction energies; protein dielectric"@en . "\u0158ez\u00E1\u010D, Jan" . . "Stabiliza\u010Dn\u00ED energie iontov\u00E9ho p\u00E1ru Glu-Lys byla vypo\u010Dtena pomoc\u00ED metod kvantov\u00E9 chemie na \u00FArovni CCSD(T)-CBS jako referen\u010Dn\u00ED hodnota s\u00EDly t\u00E9to interakce v plynn\u00E9 f\u00E1zi. Efekt prost\u0159ed\u00ED byl zahrnut pomoc\u00ED metody COSMO v DFT v\u00FDpo\u010Dtu pop\u0159 modifikac\u00ED dielektrick\u00E9 konstanty v empirick\u00FDch v\u00FDpo\u010Dtech. Bylo prok\u00E1z\u00E1no, \u017Ee prost\u0159ed\u00ED ovliv\u0148uje v\u00FDznamn\u011B s\u00EDlu t\u00E9to interakce a v n\u011Bkter\u00FDch p\u0159\u00EDpadech ji dokonce obrac\u00ED v destabilizaci."@cs . . . "Stabiliza\u010Dn\u00ED energie iontov\u00E9ho p\u00E1ru Glu-Lys pro protein ve vodn\u00E9m prost\u0159ed\u00ED: studie pomoc\u00ED metod kvantov\u00E9 chemie, DFT a empirick\u00E9ho potenci\u00E1lu"@cs . . . . . . . . . "Stabiliza\u010Dn\u00ED energie iontov\u00E9ho p\u00E1ru Glu-Lys pro protein ve vodn\u00E9m prost\u0159ed\u00ED: studie pomoc\u00ED metod kvantov\u00E9 chemie, DFT a empirick\u00E9ho potenci\u00E1lu"@cs . "The stabilization energy of the Glu-Lys salt bridge in the protein/water environment: Correlated quantum chemical ab initio, DFT and empirical potential studies"@en . . "RIV/61388963:_____/08:00315418" . "CZ - \u010Cesk\u00E1 republika" . "RIV/61388963:_____/08:00315418!RIV09-AV0-61388963" . .