Molecular Modeling of Peptides and Proteins at National Centre for Biomolecular Research (NCBR)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F02%3A00007229" target="_blank" >RIV/00216224:14310/02:00007229 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

Molecular Modeling of Peptides and Proteins at National Centre for Biomolecular Research (NCBR)

Popis výsledku v původním jazyce

It was discussed the projects solved at NCBR using molecular dynamics methods applied to peptides and proteins. The first project will be molecular dynamics study of phosphotriesterase, the protein that catalyzes the hydrolysis of wide range organophosphate insecticides and chemical warfare agents. The X-ray structure of phosphotriesterase has been solved, but the chemical mechanism of phosphate hydrolysis and the role of amino acids in the active site has not been explained yet. The molecular dynamicscould help explain the reaction mechanism of hydrolysis. The second project will be MD study of alpha-1,4-galactosyltransferase, enzyme that catalyses the synthesis of lipopolysaccharides in bacteria Neisserii meningitis. These lipopolysaccharides ensureprotection of bacteria against host immunity system. The mechanism of synthesis is not known yet. The third discussed project will be the study of cyclin dependent kinase cdk2 using molecular dynamics methods. The enzyme cdk2 plays a key

Název v anglickém jazyce

Molecular Modeling of Peptides and Proteins at National Centre for Biomolecular Research (NCBR)

Popis výsledku anglicky

It was discussed the projects solved at NCBR using molecular dynamics methods applied to peptides and proteins. The first project will be molecular dynamics study of phosphotriesterase, the protein that catalyzes the hydrolysis of wide range organophosphate insecticides and chemical warfare agents. The X-ray structure of phosphotriesterase has been solved, but the chemical mechanism of phosphate hydrolysis and the role of amino acids in the active site has not been explained yet. The molecular dynamicscould help explain the reaction mechanism of hydrolysis. The second project will be MD study of alpha-1,4-galactosyltransferase, enzyme that catalyses the synthesis of lipopolysaccharides in bacteria Neisserii meningitis. These lipopolysaccharides ensureprotection of bacteria against host immunity system. The mechanism of synthesis is not known yet. The third discussed project will be the study of cyclin dependent kinase cdk2 using molecular dynamics methods. The enzyme cdk2 plays a key

Druh

D - Stať ve sborníku

CEP obor

BO - Biofyzika

OECD FORD obor

—

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

Materials Structure in Chemistry, Biology, Physics and Technology

ISBN

—

ISSN

—

e-ISSN

—

Počet stran výsledku

2

Strana od-do

41-42

Název nakladatele

1. setkani ceskych a slovenskych strukturnich biologu

Místo vydání

Praha

Místo konání akce

Nove Hrady

Datum konání akce

1. 1. 2002

Typ akce podle státní příslušnosti

CST - Celostátní akce

Kód UT WoS článku

—