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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F05%3A00025709%21RIV06-MSM-61388963
rdf:type
skos:Concept n13:Vysledek
dcterms:description
Volná hydratační Gibbsova energie adenine, cytosinu, guanine, thyminu, uracilu a isogueninu je určená molekulovou dynamikou-thermodinamickou integrací (MD-TI) a použitím spojitého COSMO modelu a hybridního modelu. Role rozpoušt?dla v COSMO modelu je popsána permitivitou a v hybridním modelu je popsána kombinací permittivity a specificky vázané molekuly vody v energeticky nejvýhodn?jší pozici. The hydration Gibbs energies of adenine, cytosine, guanine, thymine, uracil and isoguanine are determined by the molecular dynamics-thermodynamic integration method (MD-TI) and using continuous COSMO and hybrid models. The role of solvents in the COSMO model is described by permittivity and by combining the permittivity and specific hydration of single water molecules placed on the energetically most probable position in the hybrid model. The hydration Gibbs energies of adenine, cytosine, guanine, thymine, uracil and isoguanine are determined by the molecular dynamics-thermodynamic integration method (MD-TI) and using continuous COSMO and hybrid models. The role of solvents in the COSMO model is described by permittivity and by combining the permittivity and specific hydration of single water molecules placed on the energetically most probable position in the hybrid model.
dcterms:title
Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches Volná hydratační Gibbsova energie bazí nukleových kyselin určená perturbací Gibbsovy energie, spojitým a hybridním přístupem
skos:prefLabel
Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches Volná hydratační Gibbsova energie bazí nukleových kyselin určená perturbací Gibbsovy energie, spojitým a hybridním přístupem
skos:notation
RIV/61388963:_____/05:00025709!RIV06-MSM-61388963
n3:strany
1756;1768
n3:aktivita
n16:P n16:Z
n3:aktivity
P(GA203/05/0009), P(GD203/05/H001), P(LC512), Z(AV0Z40550506)
n3:cisloPeriodika
11
n3:dodaniDat
n8:2006
n3:domaciTvurceVysledku
n6:3849147 n6:1014285 n6:2932016 n6:9650199
n3:druhVysledku
n15:J
n3:duvernostUdaju
n4:S
n3:entitaPredkladatele
n7:predkladatel
n3:idSjednocenehoVysledku
523935
n3:idVysledku
RIV/61388963:_____/05:00025709
n3:jazykVysledku
n9:eng
n3:klicovaSlova
COSMO; hybrid model; hydration
n3:klicoveSlovo
n5:COSMO n5:hydration n5:hybrid%20model
n3:kodStatuVydavatele
CZ - Česká republika
n3:kontrolniKodProRIV
[6BD52C84C6B4]
n3:nazevZdroje
Collection of Czechoslovak Chemical Communications
n3:obor
n18:CF
n3:pocetDomacichTvurcuVysledku
4
n3:pocetTvurcuVysledku
4
n3:projekt
n11:GD203%2F05%2FH001 n11:GA203%2F05%2F0009 n11:LC512
n3:rokUplatneniVysledku
n8:2005
n3:svazekPeriodika
70
n3:tvurceVysledku
Fanfrlík, Jindřich Hobza, Pavel Hanus, Michal Rejnek, Jaroslav
n3:zamer
n17:AV0Z40550506
s:issn
0010-0765
s:numberOfPages
13