Hydration of the CDK2 active site. Molecular dynamics study.

Result code in 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>
Result on the web
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DOI - Digital Object Identifier
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Result language
čeština
Original language name
Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky.
Original language 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. 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
Czech name
Hydratace aktivniho mista enzymu CDK2. Studium pomoci molekulove dynamiky.
Czech description
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Project
<a href="/en/project/LN00A016" target="_blank" >LN00A016: BIOMOLECULAR CENTER</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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