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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F02%3A00007227%21RIV%2F2003%2FMSM%2F143103%2FN
rdf:type
skos:Concept n20:Vysledek
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. X-ray crystallography, NMR spectroscopy, and neutron diffraction are typical experimental methods to analyze presence of water molecules at atomic level. In absence of high-resolution experimental data, theoretical studies, such as molecular dynamics simulations, represent complementary methods to locate water positions and understand the dynamics and energetics of these water molecules. Water molecules behavior based on results of molecular dynamics simulations of the enzyme cyclin-dependent kinase cdk2 and its complexes with natural substrate (ATP) and two inhibitors (roscovitine, isopentenyladenine) was discussed. Enzyme cdk2 plays an important role in the cell cycle. The inhibitors of this enzyme are potential anticancer therapeutics. The results of M 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. X-ray crystallography, NMR spectroscopy, and neutron diffraction are typical experimental methods to analyze presence of water molecules at atomic level. In absence of high-resolution experimental data, theoretical studies, such as molecular dynamics simulations, represent complementary methods to locate water positions and understand the dynamics and energetics of these water molecules. Water molecules behavior based on results of molecular dynamics simulations of the enzyme cyclin-dependent kinase cdk2 and its complexes with natural substrate (ATP) and two inhibitors (roscovitine, isopentenyladenine) was discussed. Enzyme cdk2 plays an important role in the cell cycle. The inhibitors of this enzyme are potential anticancer therapeutics. The results of M
dcterms:title
Hydration of the CDK2 active site. Molecular dynamics study. Hydration of the CDK2 active site. Molecular dynamics study.
skos:prefLabel
Hydration of the CDK2 active site. Molecular dynamics study. Hydration of the CDK2 active site. Molecular dynamics study.
skos:notation
RIV/00216224:14310/02:00007227!RIV/2003/MSM/143103/N
n3:strany
PC439
n3:aktivita
n6:Z
n3:aktivity
Z(MSM 143100005)
n3:dodaniDat
n5:2003
n3:domaciTvurceVysledku
n16:4347374 n16:9309616
n3:druhVysledku
n18:D
n3:duvernostUdaju
n9:S
n3:entitaPredkladatele
n12:predkladatel
n3:idSjednocenehoVysledku
648101
n3:idVysledku
RIV/00216224:14310/02:00007227
n3:jazykVysledku
n17:eng
n3:klicovaSlova
Molecular dynamics, hydration, cyclin dependent kinase,
n3:klicoveSlovo
n8:Molecular%20dynamics n8:hydration n8:cyclin%20dependent%20kinase
n3:kontrolniKodProRIV
[3E8EC26CB115]
n3:mistoKonaniAkce
Lugano - Svycarsko
n3:mistoVydani
ETH Zurich
n3:nazevZdroje
Watoc'02 Book of Abstracts
n3:obor
n19:BO
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
3
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:rokUplatneniVysledku
n5:2002
n3:tvurceVysledku
Koča, Jaroslav Kříž, Zdeněk Otyepka, Michal
n3:typAkce
n10:WRD
n3:zahajeniAkce
2002-08-04+02:00
n3:zamer
n15:MSM%20143100005
s:numberOfPages
1
n7:hasPublisher
WATOC'02
n11:organizacniJednotka
14310