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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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