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@inproceedings{858656,
author = {Adam, Jan and Kříž, Zdeněk and Prokop, Martin and Wimmerová, Michaela and Koča, Jaroslav},
address = {Brno},
booktitle = {XIII. Setkání biochemiků a molekulárních biologů},
keywords = {molecular modelling; docking; lectin engineering},
language = {eng},
location = {Brno},
isbn = {978-80-210-4830-0},
pages = {3-3},
publisher = {Masarykova Univerzita},
title = {Deciphering the lectin code by means of molecular modelling correlated with structure-functional experimental studies},
year = {2009}
}
TY - JOUR
ID - 858656
AU - Adam, Jan - Kříž, Zdeněk - Prokop, Martin - Wimmerová, Michaela - Koča, Jaroslav
PY - 2009
TI - Deciphering the lectin code by means of molecular modelling correlated with structure-functional experimental studies
PB - Masarykova Univerzita
CY - Brno
SN - 9788021048300
KW - molecular modelling
KW - docking
KW - lectin engineering
N2 - The current computational capacity allows to perform sophisticated simulations and modelling of complicated, yet, for the living organisms essential processes - the biomolecular interactions Lectins are proteins capable of binding saccharide structures with both high affinity and specificity. Several types of molecular modeling applications were combined into a robust method of prediction of the binding behavior of several lectins. The method was tested and validated against the experimental results , and recently, the identification of possible mutations favourable for shifting the binding preferences in desired directions is underway. Besides the protein engineering, the molecular modeling also offered new insights and possible explanations of the molecule behavior in situations where experimental data are not available yet. The use of molecular modeling for in silico predictions can greatly help to increase the efficiency of the whole biomolecular research.
ER -
ADAM, Jan, Zdeněk KŘÍŽ, Martin PROKOP, Michaela WIMMEROVÁ and Jaroslav KOČA. Deciphering the lectin code by means of molecular modelling correlated with structure-functional experimental studies. In \textit{XIII. Setkání biochemiků a molekulárních biologů}. Brno: Masarykova Univerzita, 2009, p.~3. ISBN~978-80-210-4830-0.
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