. "Zelen\u00FD, Tom\u00E1\u0161" . "Microhydration of guanine cytosine base pairs, a theoretical study on the role of water in stability, structure and tautomeric equilibrium"@en . . . . . "3"^^ . "326187" . . . . . "Hobza, Pavel" . . . . "Microhydration of guanine cytosine base pairs, a theoretical study on the role of water in stability, structure and tautomeric equilibrium" . . "1463-9076" . . "6"^^ . "[E0C127E0CD7E]" . . "P(IAA400550808), P(LC512), Z(AV0Z40550506), Z(MSM6198959216)" . "000265413300010" . "Kabel\u00E1\u010D, Martin" . "The potential energy surfaces of guanine...cytosine complexes and microhydrated guanine... cytosine were investigated by the molecular dynamics/ quenching method (MD/Q), using the AMBER force field, The calculations were conducted for all the possible combinations of the four most stable tautomers of guanine and three of cytosine (covering the canonical forms in both cases). The most stable structures found at the empirical potential energy surfaces were fully reoptimised at the second-order M\u00F8ller\u2013Plesset perturbation theory as well as using the density functional method The rising number of water molecules leads to smaller differences between the stability of the various combinations of the tautomers of bases in the base pairs." . "Microhydration of guanine cytosine base pairs, a theoretical study on the role of water in stability, structure and tautomeric equilibrium" . . . . "ab initio calculations; base pairs; guanine; cytosine; hydration"@en . "11" . . . "The potential energy surfaces of guanine...cytosine complexes and microhydrated guanine... cytosine were investigated by the molecular dynamics/ quenching method (MD/Q), using the AMBER force field, The calculations were conducted for all the possible combinations of the four most stable tautomers of guanine and three of cytosine (covering the canonical forms in both cases). The most stable structures found at the empirical potential energy surfaces were fully reoptimised at the second-order M\u00F8ller\u2013Plesset perturbation theory as well as using the density functional method The rising number of water molecules leads to smaller differences between the stability of the various combinations of the tautomers of bases in the base pairs."@en . "RIV/61388963:_____/09:00328010!RIV10-MSM-61388963" . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . "18" . . "Physical Chemistry Chemical Physics" . "Microhydration of guanine cytosine base pairs, a theoretical study on the role of water in stability, structure and tautomeric equilibrium"@en . . "RIV/61388963:_____/09:00328010" . "3"^^ . .