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@inproceedings{483320,
author = {Otyepka, Michal and Strnad, Miroslav and Damborský, Jiří and Kříž, Zdeněk and Koča, Jaroslav},
address = {Praha},
booktitle = {Materials Structures in Chemistry, Biology, Physics and Technology},
keywords = {Computer Simulation; Protein; Ligand},
language = {eng},
location = {Praha},
pages = {45-46},
publisher = {1. setkani ceskych a slovenskych strukturnich biologu},
title = {Proteins and Their Interactions With Small Molecules Studied by Computer Simulations.},
year = {2002}
}
TY - JOUR
ID - 483320
AU - Otyepka, Michal - Strnad, Miroslav - Damborský, Jiří - Kříž, Zdeněk - Koča, Jaroslav
PY - 2002
TI - Proteins and Their Interactions With Small Molecules Studied by Computer Simulations.
PB - 1. setkani ceskych a slovenskych strukturnich biologu
CY - Praha
KW - Computer Simulation
KW - Protein
KW - Ligand
N2 - The presentation introduce an on-going research project focused on proteins and their interactions with small molecules. Two systems are studied by computer simulations; (1) cyclin-dependent kinase-2 (cdk2) and its inhibition by purine-like compounds, and (2) haloalkane dehalogenases. Cyclin-dependent kinases are enzymes controlling the cell division cycle. A deregulation of cdk has been proved to occur in human primary tumors and in tumor cell lines. It evoked potential application of cdk inhibitors in cancer therapy. Haloalkane dehalogenases are bacterial enzymes cleaving the carbon-halogen bond of the halogenated aliphatic compounds by a hydrolytic mechanism. These enzymes have a potential application in detoxification of subsurface pullutants and recovery of industrial side products.
ER -
OTYEPKA, Michal, Miroslav STRNAD, Jiří DAMBORSKÝ, Zdeněk KŘÍŽ a Jaroslav KOČA. Proteins and Their Interactions With Small Molecules Studied by Computer Simulations. In \textit{Materials Structures in Chemistry, Biology, Physics and Technology}. Praha: 1. setkani ceskych a slovenskych strukturnich biologu. s.~45-46. 2002.
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