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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F02%3A00007231%21RIV08-MSM-14310___
rdf:type
n17:Vysledek skos:Concept
dcterms:description
The structural, dynamical, and functional importance of water molecules for biomolecular structure and recognition is well-known. Water contributes significantly to the stability of biomacromolecules and plays a crucial role in molecular association. In general, buried water molecule is believed to be involved in local structural stabilization in proteins and DNA. These water molecules are critical for the binding affinity or specificity of protein-ligand complexes. It is important in the design of new ligands. X-ray crystallography, NMR spectroscopy, and neutron diffraction are typical experimental methods to analyze presence of water molecules at atomic level. However, high-resolution structures (better than 1.5 A) are preferred for reliable analysis of structural aspects of water molecules associated with host protein. In absence of high-resolution experimental data, theoretical studies, such as molecular dynamics simulations, represent complementary methods to locate water positions and understand The structural, dynamical, and functional importance of water molecules for biomolecular structure and recognition is well-known. Water contributes significantly to the stability of biomacromolecules and plays a crucial role in molecular association. In general, buried water molecule is believed to be involved in local structural stabilization in proteins and DNA. These water molecules are critical for the binding affinity or specificity of protein-ligand complexes. It is important in the design of new ligands. X-ray crystallography, NMR spectroscopy, and neutron diffraction are typical experimental methods to analyze presence of water molecules at atomic level. However, high-resolution structures (better than 1.5 A) are preferred for reliable analysis of structural aspects of water molecules associated with host protein. In absence of high-resolution experimental data, theoretical studies, such as molecular dynamics simulations, represent complementary methods to locate water positions and understand The structural, dynamical, and functional importance of water molecules for biomolecular structure and recognition is well-known. Water contributes significantly to the stability of biomacromolecules and plays a crucial role in molecular association. In general, buried water molecule is believed to be involved in local structural stabilization in proteins and DNA. These water molecules are critical for the binding affinity or specificity of protein-ligand complexes. It is important in the design of new ligands. X-ray crystallography, NMR spectroscopy, and neutron diffraction are typical experimental methods to analyze presence of water molecules at atomic level. However, high-resolution structures (better than 1.5 A) are preferred for reliable analysis of structural aspects of water molecules associated with host protein. In absence of high-resolution experimental data, theoretical studies, such as molecular dynamics simulations, represent complementary methods to locate water positions and understand
dcterms:title
Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky. Hydration of the CDK2 active site. Molecular dynamics study. Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky.
skos:prefLabel
Hydration of the CDK2 active site. Molecular dynamics study. Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky. Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky.
skos:notation
RIV/00216224:14310/02:00007231!RIV08-MSM-14310___
n3:strany
424
n3:aktivita
n11:P
n3:aktivity
P(LN00A016)
n3:dodaniDat
n19:2008
n3:domaciTvurceVysledku
n16:4347374 n16:9309616
n3:druhVysledku
n13:D
n3:duvernostUdaju
n7:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
648099
n3:idVysledku
RIV/00216224:14310/02:00007231
n3:jazykVysledku
n4:cze
n3:klicovaSlova
CDK2; Molecular dynamics; Hydration; ATP
n3:klicoveSlovo
n6:ATP n6:Molecular%20dynamics n6:CDK2 n6:Hydration
n3:kontrolniKodProRIV
[6569B4DEEC85]
n3:mistoKonaniAkce
Brno
n3:mistoVydani
Praha
n3:nazevZdroje
Chemicke listy 6
n3:obor
n20:BO
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
3
n3:projekt
n5:LN00A016
n3:rokUplatneniVysledku
n19:2002
n3:tvurceVysledku
Koča, Jaroslav Kříž, Zdeněk Otyepka, Michal
n3:typAkce
n9:EUR
n3:zahajeniAkce
2002-01-01+01:00
s:numberOfPages
1
n8:hasPublisher
54. Sjezd chemickych spolecnosti
n12:organizacniJednotka
14310