About: Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches

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About: Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. (en) 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. (cs)
Title	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 (cs) Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches (en)
skos:prefLabel	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 (cs) Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches (en)
skos:notation	RIV/61388963:_____/05:00025709!RIV06-MSM-61388963
http://linked.open.../vavai/riv/strany	1756;1768
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/05/0009), P(GD203/05/H001), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Hanus, Michal Rejnek, Jaroslav Hobza, Pavel Fanfrlík, Jindřich
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	523935
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/05:00025709
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	COSMO; hybrid model; hydration (en)
http://linked.open.../riv/klicoveSlovo	COSMO hydration hybrid model
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[6BD52C84C6B4]
http://linked.open...i/riv/nazevZdroje	Collection of Czechoslovak Chemical Communications
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Experimental Study and Computer Modeling of the Structure and Function of the Complex Molecular Systems and Bio(macro)molecules Structure and dynamics of DNA nitrogeneous bases, base pairs, oligonucleotides and their complexes with water, ions and drugs
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	70
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Fanfrlík, Jindřich Rejnek, Jaroslav Hanus, Michal
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0010-0765
number of pages	13 (xsd:int)

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