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@proceedings{892429,
author = {Štěpán, Jakub and Kulhánek, Petr and Kříž, Zdeněk and Kmuníček, Jan and Koča, Jaroslav and Matyska, Luděk},
booktitle = {5th EGEE User Forum},
keywords = {CICADA; PES; conformational space; folding; grid high-throughput computing; distributed computing},
language = {eng},
title = {grid-CICADA: Efficient Explorer of Conformational Space of Biomolecular Systems},
url = {http://egee-uf5.eu-egee.org/},
year = {2010}
}
TY - CONF
ID - 892429
AU - Štěpán, Jakub - Kulhánek, Petr - Kříž, Zdeněk - Kmuníček, Jan - Koča, Jaroslav - Matyska, Luděk
PY - 2010
TI - grid-CICADA: Efficient Explorer of Conformational Space of Biomolecular Systems
KW - CICADA
KW - PES
KW - conformational space
KW - folding
KW - grid high-throughput computing
KW - distributed computing
UR - http://egee-uf5.eu-egee.org/
N2 - Knowledge of conformational space is essential in assessment of dynamical behaviour of biomolecules, which is important, for example, in drug design and folding studies. Unfortunately, systematic exploration of conformational space is impossible due to its high complexity. To circumvent this problem, we have developed the program CICADA that tries to rationalize the search in such a space. In this work, we will demonstrate utilization of innovated version of CICADA in the grid environment during the study of selected middle size biomolecules.
ER -
ŠTĚPÁN, Jakub, Petr KULHÁNEK, Zdeněk KŘÍŽ, Jan KMUNÍČEK, Jaroslav KOČA and Luděk MATYSKA. grid-CICADA: Efficient Explorer of Conformational Space of Biomolecular Systems. In \textit{5th EGEE User Forum}. 2010.
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