Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F02%3A00007231" target="_blank" >RIV/00216224:14310/02:00007231 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

čeština

Název v původním jazyce

Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky.

Popis výsledku v původním jazyce

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. Ingeneral, 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 newligands. 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 analysisof 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 position

Název v anglickém jazyce

Hydration of the CDK2 active site. Molecular dynamics study.

Popis výsledku anglicky

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. Ingeneral, 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 newligands. 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 analysisof 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 position

Druh

D - Stať ve sborníku

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

<a href="/cs/project/LN00A016" target="_blank" >LN00A016: BIOMOLEKULÁRNÍ CENTRUM</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2002

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

Chemicke listy 6

ISBN

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ISSN

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e-ISSN

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Počet stran výsledku

1

Strana od-do

424

Název nakladatele

54. Sjezd chemickych spolecnosti

Místo vydání

Praha

Místo konání akce

Brno

Datum konání akce

1. 1. 2002

Typ akce podle státní příslušnosti

EUR - Evropská akce

Kód UT WoS článku

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